4-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[3-methylsulfanyl-1-(4-phenylpiperazine-1-carbonyl)propyl]benzenesulfonamide CAS Name: 4-methyl-N-[4-(methylthio)-1-oxo-1-(4-phenyl-1-piperazinyl)butan-2-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[4-methylsulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[3-(methylthio)-1-(4-phenylpiperazine-1-carbonyl)propyl]benzenesulfonamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

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