3-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide

Systemtic Name: 3-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide Openeye Name: 3-[4-(3-cyanobenzoyl)piperazin-1-yl]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide CAS Name: 3-[4-[(3-cyanophenyl)-oxomethyl]-1-piperazinyl]-4-methoxy-N-methyl-N-phenethylbenzenesulfonamide IUPAC Name: 3-[4-(3-cyanobenzoyl)piperazin-1-yl]-4-methoxy-N-methyl-N-phenethylbenzenesulfonamide Traditional Name: 3-[4-(3-cyanobenzoyl)piperazino]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H30N4O4S/c1-30(14-13-22-7-4-3-5-8-22)37(34,35)25-11-12-27(36-2)26(20-25)31-15-17-32(18-16-31)28(33)24-10-6-9-23(19-24)21-29/h3-12,19-20H,13-18H2,1-2H3