1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-[(1-methyl-5-indolyl)sulfonyl]-N-[[4-(methylthio)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(1-methylindol-5-yl)sulfonyl-N-[4-(methylthio)benzyl]nipecotamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)SC

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)SC

InChI

InChI=1S/C23H27N3O3S2/c1-25-13-11-18-14-21(9-10-22(18)25)31(28,29)26-12-3-4-19(16-26)23(27)24-15-17-5-7-20(30-2)8-6-17/h5-11,13-14,19H,3-4,12,15-16H2,1-2H3,(H,24,27)