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

Systemtic Name: N-[3-(3-cyanophenyl)-1-(4-cyclohexylcarbonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-[3-(3-cyanophenyl)-1-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-1-oxopropan-2-yl]-2-naphthalenesulfonamide IUPAC Name: N-[3-(3-cyanophenyl)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-oxopropan-2-yl]naphthalene-2-sulfonamide Traditional Name: N-[1-(3-cyanobenzyl)-2-[4-(cyclohexanecarbonyl)piperazino]-2-keto-ethyl]naphthalene-2-sulfonamide Formula: C31H34N4O4S MolecularWeight: 558.69106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)C(=O)C(CC3=CC=CC(=C3)C#N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C(=O)C(CC3=CC=CC(=C3)C#N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H34N4O4S/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/h4-9,12-14,19,21,26,29,33H,1-3,10-11,15-18,20H2