5-[5-[[2-cyanoethyl(methyl)amino]methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

Systemtic Name: 5-[5-[[2-cyanoethyl(methyl)amino]methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Openeye Name: 5-[5-[[2-cyanoethyl(methyl)amino]methyl]-3-thienyl]-3-(1-ethylsulfonyl-4-piperidyl)-1H-indole-7-carboxamide CAS Name: 5-[5-[[2-cyanoethyl(methyl)amino]methyl]-3-thiophenyl]-3-(1-ethylsulfonyl-4-piperidinyl)-1H-indole-7-carboxamide IUPAC Name: 5-[5-[[2-cyanoethyl(methyl)amino]methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Traditional Name: 5-[5-[[2-cyanoethyl(methyl)amino]methyl]-3-thienyl]-3-(1-esyl-4-piperidyl)-1H-indole-7-carboxamide Formula: C25H31N5O3S2 MolecularWeight: 513.67534

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C2=CNC3=C(C=C(C=C23)C4=CSC(=C4)CN(C)CCC#N)C(=O)N

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C2=CNC3=C(C=C(C=C23)C4=CSC(=C4)CN(C)CCC#N)C(=O)N

InChI

InChI=1S/C25H31N5O3S2/c1-3-35(32,33)30-9-5-17(6-10-30)23-14-28-24-21(23)12-18(13-22(24)25(27)31)19-11-20(34-16-19)15-29(2)8-4-7-26/h11-14,16-17,28H,3-6,8-10,15H2,1-2H3,(H2,27,31)