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

Systemtic Name: N-[4-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]butane-1-sulfonamide Openeye Name: N-[4-[4-[2-(o-tolyl)acetyl]piperazin-1-yl]phenyl]butane-1-sulfonamide CAS Name: N-[4-[4-[2-(2-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]-1-butanesulfonamide IUPAC Name: N-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]butane-1-sulfonamide Traditional Name: N-[4-[4-[2-(o-tolyl)acetyl]piperazino]phenyl]butane-1-sulfonamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CC=C3C

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C23H31N3O3S/c1-3-4-17-30(28,29)24-21-9-11-22(12-10-21)25-13-15-26(16-14-25)23(27)18-20-8-6-5-7-19(20)2/h5-12,24H,3-4,13-18H2,1-2H3