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

Systemtic Name: N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]naphthalene-1-sulfonamide Openeye Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]naphthalene-1-sulfonamide CAS Name: N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-naphthalenesulfonamide IUPAC Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]naphthalene-1-sulfonamide Traditional Name: N-[4-(4-o-toluoylpiperazino)phenyl]naphthalene-1-sulfonamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H27N3O3S/c1-21-7-2-4-10-25(21)28(32)31-19-17-30(18-20-31)24-15-13-23(14-16-24)29-35(33,34)27-12-6-9-22-8-3-5-11-26(22)27/h2-16,29H,17-20H2,1H3