N-[3-(3-cyanophenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide

Systemtic Name: N-[3-(3-cyanophenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide CAS Name: N-[3-(3-cyanophenyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxopropan-2-yl]-2-naphthalenesulfonamide IUPAC Name: N-[3-(3-cyanophenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]naphthalene-2-sulfonamide Traditional Name: N-[1-(3-cyanobenzyl)-2-keto-2-(4-tosylpiperazino)ethyl]naphthalene-2-sulfonamide Formula: C31H30N4O5S2 MolecularWeight: 602.7237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(CC3=CC=CC(=C3)C#N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(CC3=CC=CC(=C3)C#N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H30N4O5S2/c1-23-9-12-28(13-10-23)42(39,40)35-17-15-34(16-18-35)31(36)30(20-24-5-4-6-25(19-24)22-32)33-41(37,38)29-14-11-26-7-2-3-8-27(26)21-29/h2-14,19,21,30,33H,15-18,20H2,1H3