3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide

Systemtic Name: 3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide Openeye Name: 3-[5-[(4-methyl-1-piperidyl)sulfonyl]indol-1-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide CAS Name: 3-[5-[(4-methyl-1-piperidinyl)sulfonyl]-1-indolyl]-N-[[4-(methylthio)phenyl]methyl]propanamide IUPAC Name: 3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide Traditional Name: 3-[5-(4-methylpiperidino)sulfonylindol-1-yl]-N-[4-(methylthio)benzyl]propionamide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCC(=O)NCC4=CC=C(C=C4)SC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCC(=O)NCC4=CC=C(C=C4)SC

InChI

InChI=1S/C25H31N3O3S2/c1-19-9-15-28(16-10-19)33(30,31)23-7-8-24-21(17-23)11-13-27(24)14-12-25(29)26-18-20-3-5-22(32-2)6-4-20/h3-8,11,13,17,19H,9-10,12,14-16,18H2,1-2H3,(H,26,29)