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

Systemtic Name: N-[3-(3-cyanophenyl)-1-oxidanylidene-1-[4-(phenylcarbonyl)piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[2-(4-benzoylpiperazin-1-yl)-1-[(3-cyanophenyl)methyl]-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-[1-(4-benzoyl-1-piperazinyl)-3-(3-cyanophenyl)-1-oxopropan-2-yl]-2-naphthalenesulfonamide IUPAC Name: N-[1-(4-benzoylpiperazin-1-yl)-3-(3-cyanophenyl)-1-oxopropan-2-yl]naphthalene-2-sulfonamide Traditional Name: N-[2-(4-benzoylpiperazino)-1-(3-cyanobenzyl)-2-keto-ethyl]naphthalene-2-sulfonamide Formula: C31H28N4O4S MolecularWeight: 552.64342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(CC3=CC=CC(=C3)C#N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(CC3=CC=CC(=C3)C#N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H28N4O4S/c32-22-24-8-6-7-23(19-24)20-29(33-40(38,39)28-14-13-25-9-4-5-12-27(25)21-28)31(37)35-17-15-34(16-18-35)30(36)26-10-2-1-3-11-26/h1-14,19,21,29,33H,15-18,20H2