N-(2-cyanoethyl)-N-methyl-2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanamide Openeye Name: 2-(3-benzylsulfonylindol-1-yl)-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[3-(phenylmethyl)sulfonyl-1-indolyl]acetamide IUPAC Name: 2-(3-benzylsulfonylindol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-(3-benzylsulfonylindol-1-yl)-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-23(13-7-12-22)21(25)15-24-14-20(18-10-5-6-11-19(18)24)28(26,27)16-17-8-3-2-4-9-17/h2-6,8-11,14H,7,13,15-16H2,1H3