N-[3-[1-methyl-4-(2-methylphenyl)piperazin-2-yl]phenyl]butane-1-sulfonamide

Systemtic Name: N-[3-[1-methyl-4-(2-methylphenyl)piperazin-2-yl]phenyl]butane-1-sulfonamide Openeye Name: N-[3-[1-methyl-4-(o-tolyl)piperazin-2-yl]phenyl]butane-1-sulfonamide CAS Name: N-[3-[1-methyl-4-(2-methylphenyl)-2-piperazinyl]phenyl]-1-butanesulfonamide IUPAC Name: N-[3-[1-methyl-4-(2-methylphenyl)piperazin-2-yl]phenyl]butane-1-sulfonamide Traditional Name: N-[3-[1-methyl-4-(o-tolyl)piperazin-2-yl]phenyl]butane-1-sulfonamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC=CC(=C1)C2CN(CCN2C)C3=CC=CC=C3C

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC=CC(=C1)C2CN(CCN2C)C3=CC=CC=C3C

InChI

InChI=1S/C22H31N3O2S/c1-4-5-15-28(26,27)23-20-11-8-10-19(16-20)22-17-25(14-13-24(22)3)21-12-7-6-9-18(21)2/h6-12,16,22-23H,4-5,13-15,17H2,1-3H3