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

Systemtic Name: 3-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide Openeye Name: 3-[4-(4-cyanobenzoyl)piperazin-1-yl]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide CAS Name: 3-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-4-methoxy-N-methyl-N-phenethylbenzenesulfonamide IUPAC Name: 3-[4-(4-cyanobenzoyl)piperazin-1-yl]-4-methoxy-N-methyl-N-phenethylbenzenesulfonamide Traditional Name: 3-[4-(4-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=C(C=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=C(C=C4)C#N

InChI

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