3-azanyl-5-(diethylamino)-2-(9-oxidanylidenethioxanthen-4-yl)pentane-2-sulfonamide

Systemtic Name: 3-azanyl-5-(diethylamino)-2-(9-oxidanylidenethioxanthen-4-yl)pentane-2-sulfonamide Openeye Name: 3-amino-5-(diethylamino)-2-(9-oxothioxanthen-4-yl)pentane-2-sulfonamide CAS Name: 3-amino-5-(diethylamino)-2-(9-oxo-4-thioxanthenyl)-2-pentanesulfonamide IUPAC Name: 3-amino-5-(diethylamino)-2-(9-oxothioxanthen-4-yl)pentane-2-sulfonamide Traditional Name: 3-amino-5-(diethylamino)-2-(9-ketothioxanthen-4-yl)pentane-2-sulfonamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C(C)(C1=CC=CC2=C1SC3=CC=CC=C3C2=O)S(=O)(=O)N)N

Isomeric SMILES

CCN(CC)CCC(C(C)(C1=CC=CC2=C1SC3=CC=CC=C3C2=O)S(=O)(=O)N)N

InChI

InChI=1S/C22H29N3O3S2/c1-4-25(5-2)14-13-19(23)22(3,30(24,27)28)17-11-8-10-16-20(26)15-9-6-7-12-18(15)29-21(16)17/h6-12,19H,4-5,13-14,23H2,1-3H3,(H2,24,27,28)