ethyl 3-(cyanomethyl)-1-(phenylsulfonyl)indole-2-carboxylate

Systemtic Name: ethyl 3-(cyanomethyl)-1-(phenylsulfonyl)indole-2-carboxylate Openeye Name: ethyl 1-(benzenesulfonyl)-3-(cyanomethyl)indole-2-carboxylate CAS Name: 1-(benzenesulfonyl)-3-(cyanomethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzenesulfonyl)-3-(cyanomethyl)indole-2-carboxylate Traditional Name: 1-besyl-3-(cyanomethyl)indole-2-carboxylic acid ethyl ester Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)CC#N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)CC#N

InChI

InChI=1S/C19H16N2O4S/c1-2-25-19(22)18-16(12-13-20)15-10-6-7-11-17(15)21(18)26(23,24)14-8-4-3-5-9-14/h3-11H,2,12H2,1H3