1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-piperidin-1-ylsulfonyl-indole-2-carboxamide

Systemtic Name: 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-piperidin-1-ylsulfonyl-indole-2-carboxamide Openeye Name: 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(1-piperidylsulfonyl)indole-2-carboxamide CAS Name: 1-methyl-N-[[4-(methylthio)phenyl]methyl]-5-(1-piperidinylsulfonyl)-2-indolecarboxamide IUPAC Name: 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-piperidin-1-ylsulfonylindole-2-carboxamide Traditional Name: 1-methyl-N-[4-(methylthio)benzyl]-5-piperidinosulfonyl-indole-2-carboxamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C=C1C(=O)NCC4=CC=C(C=C4)SC

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C=C1C(=O)NCC4=CC=C(C=C4)SC

InChI

InChI=1S/C23H27N3O3S2/c1-25-21-11-10-20(31(28,29)26-12-4-3-5-13-26)14-18(21)15-22(25)23(27)24-16-17-6-8-19(30-2)9-7-17/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,24,27)