N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]octane-1-sulfonamide

Systemtic Name: N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]octane-1-sulfonamide Openeye Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]octane-1-sulfonamide CAS Name: N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-octanesulfonamide IUPAC Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]octane-1-sulfonamide Traditional Name: N-[4-(4-o-toluoylpiperazino)phenyl]octane-1-sulfonamide Formula: C26H37N3O3S MolecularWeight: 471.65528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C26H37N3O3S/c1-3-4-5-6-7-10-21-33(31,32)27-23-13-15-24(16-14-23)28-17-19-29(20-18-28)26(30)25-12-9-8-11-22(25)2/h8-9,11-16,27H,3-7,10,17-21H2,1-2H3