4-[4-(2-phenylsulfanylethyl)piperazin-1-yl]carbonyl-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[4-(2-phenylsulfanylethyl)piperazin-1-yl]carbonyl-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-[oxo-[4-[2-(phenylthio)ethyl]-1-piperazinyl]methyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[4-[2-(phenylthio)ethyl]piperazine-1-carbonyl]benzenesulfonamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCSC3=CC=CC=C3

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S2/c1-18(2)23-30(27,28)21-10-8-19(9-11-21)22(26)25-14-12-24(13-15-25)16-17-29-20-6-4-3-5-7-20/h3-11,18,23H,12-17H2,1-2H3