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

Systemtic Name: N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]butane-1-sulfonamide Openeye Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]butane-1-sulfonamide CAS Name: N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-butanesulfonamide IUPAC Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]butane-1-sulfonamide Traditional Name: N-[4-(4-o-toluoylpiperazino)phenyl]butane-1-sulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-3-4-17-29(27,28)23-19-9-11-20(12-10-19)24-13-15-25(16-14-24)22(26)21-8-6-5-7-18(21)2/h5-12,23H,3-4,13-17H2,1-2H3