5-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]-2-(pentylamino)benzenesulfonamide

Systemtic Name: 5-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]-2-(pentylamino)benzenesulfonamide Openeye Name: 5-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-2-(pentylamino)benzenesulfonamide CAS Name: 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(pentylamino)benzenesulfonamide IUPAC Name: 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(pentylamino)benzenesulfonamide Traditional Name: 2-(amylamino)-5-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]benzenesulfonamide Formula: C23H35N3O3S MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C(C=C1)C(CNC(C)CCC2=CC=CC=C2)O)S(=O)(=O)N

Isomeric SMILES

CCCCCNC1=C(C=C(C=C1)C(CNC(C)CCC2=CC=CC=C2)O)S(=O)(=O)N

InChI

InChI=1S/C23H35N3O3S/c1-3-4-8-15-25-21-14-13-20(16-23(21)30(24,28)29)22(27)17-26-18(2)11-12-19-9-6-5-7-10-19/h5-7,9-10,13-14,16,18,22,25-27H,3-4,8,11-12,15,17H2,1-2H3,(H2,24,28,29)