N-methyl-N-phenyl-3-[4-(2-phenylsulfanylethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-methyl-N-phenyl-3-[4-(2-phenylsulfanylethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-methyl-N-phenyl-3-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-methyl-3-[oxo-[4-[2-(phenylthio)ethyl]-1-piperazinyl]methyl]-N-phenylbenzenesulfonamide IUPAC Name: N-methyl-N-phenyl-3-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-methyl-N-phenyl-3-[4-[2-(phenylthio)ethyl]piperazine-1-carbonyl]benzenesulfonamide Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CCSC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CCSC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S2/c1-27(23-10-4-2-5-11-23)34(31,32)25-14-8-9-22(21-25)26(30)29-17-15-28(16-18-29)19-20-33-24-12-6-3-7-13-24/h2-14,21H,15-20H2,1H3