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

Systemtic Name: N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]naphthalene-2-sulfonamide Openeye Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]naphthalene-2-sulfonamide CAS Name: N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]naphthalene-2-sulfonamide Traditional Name: N-[4-(4-o-toluoylpiperazino)phenyl]naphthalene-2-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=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

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