[2-methylsulfanyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-methylsulfanyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-methylsulfanyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-(methylthio)-5-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-methylsulfanyl-5-(4-phenylpiperazin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-(methylthio)-5-(4-phenylpiperazino)sulfonyl-phenyl]-pyrrolidino-methanone Formula: C22H27N3O3S2 MolecularWeight: 445.59808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H27N3O3S2/c1-29-21-10-9-19(17-20(21)22(26)24-11-5-6-12-24)30(27,28)25-15-13-23(14-16-25)18-7-3-2-4-8-18/h2-4,7-10,17H,5-6,11-16H2,1H3