N-(5-azanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-N-(2-oxidanyl-3-phenoxy-propyl)benzenesulfonamide

Systemtic Name: N-(5-azanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-N-(2-oxidanyl-3-phenoxy-propyl)benzenesulfonamide Openeye Name: N-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-N-(2-hydroxy-3-phenoxy-propyl)benzenesulfonamide CAS Name: N-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide IUPAC Name: N-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide Traditional Name: N-(5-amino-6,7,8,9-tetrahydro-5H-benzocyclohepten-3-yl)-N-(2-hydroxy-3-phenoxy-propyl)benzenesulfonamide Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C=C(C=C2)N(CC(COC3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4)C(C1)N

Isomeric SMILES

C1CCC2=C(C=C(C=C2)N(CC(COC3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4)C(C1)N

InChI

InChI=1S/C26H30N2O4S/c27-26-14-8-7-9-20-15-16-21(17-25(20)26)28(33(30,31)24-12-5-2-6-13-24)18-22(29)19-32-23-10-3-1-4-11-23/h1-6,10-13,15-17,22,26,29H,7-9,14,18-19,27H2