N-(2-cyanoethyl)-N-methyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-2-[3-(p-tolylmethylsulfonyl)indol-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[3-[(4-methylphenyl)methylsulfonyl]-1-indolyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-methyl-2-[3-(4-methylbenzyl)sulfonylindol-1-yl]acetamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N(C)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N(C)CCC#N

InChI

InChI=1S/C22H23N3O3S/c1-17-8-10-18(11-9-17)16-29(27,28)21-14-25(20-7-4-3-6-19(20)21)15-22(26)24(2)13-5-12-23/h3-4,6-11,14H,5,13,15-16H2,1-2H3