2-chloranyl-5-(1-oxidanyl-3-oxidanylidene-2H-isoindol-1-yl)benzenesulfonamide; phthalazin-1-yldiazane; 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol

Systemtic Name: 2-chloranyl-5-(1-oxidanyl-3-oxidanylidene-2H-isoindol-1-yl)benzenesulfonamide; phthalazin-1-yldiazane; 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol Openeye Name: 1-(2-allyloxyphenoxy)-3-(isopropylamino)propan-2-ol; 2-chloro-5-(1-hydroxy-3-oxo-isoindolin-1-yl)benzenesulfonamide; phthalazin-1-ylhydrazine CAS Name: 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide; 1-phthalazinylhydrazine; 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)-2-propanol IUPAC Name: 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide; phthalazin-1-ylhydrazine; 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol Traditional Name: 1-(2-allyloxyphenoxy)-3-(isopropylamino)propan-2-ol; 2-chloro-5-(1-hydroxy-3-keto-isoindolin-1-yl)benzenesulfonamide; phthalazin-1-ylhydrazine Formula: C37H42ClN7O7S MolecularWeight: 764.29008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC=C1OCC=C)O.C1=CC=C2C(=C1)C=NN=C2NN.C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC=C1OCC=C)O.C1=CC=C2C(=C1)C=NN=C2NN.C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O

InChI

InChI=1S/C15H23NO3.C14H11ClN2O4S.C8H8N4/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14;9-11-8-7-4-2-1-3-6(7)5-10-12-8/h4-8,12-13,16-17H,1,9-11H2,2-3H3;1-7,19H,(H,17,18)(H2,16,20,21);1-5H,9H2,(H,11,12)