3-(2-dimethylaminoethyl)-1-(phenylsulfonyl)indole-5-carbonitrile; ethanedioic acid

Systemtic Name: 3-(2-dimethylaminoethyl)-1-(phenylsulfonyl)indole-5-carbonitrile; ethanedioic acid Openeye Name: 1-(benzenesulfonyl)-3-(2-dimethylaminoethyl)indole-5-carbonitrile; oxalic acid CAS Name: 1-(benzenesulfonyl)-3-(2-dimethylaminoethyl)-5-indolecarbonitrile; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-3-(2-dimethylaminoethyl)indole-5-carbonitrile; oxalic acid Traditional Name: 1-besyl-3-(2-dimethylaminoethyl)indole-5-carbonitrile; oxalic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CN(C2=C1C=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC1=CN(C2=C1C=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H19N3O2S.C2H2O4/c1-21(2)11-10-16-14-22(19-9-8-15(13-20)12-18(16)19)25(23,24)17-6-4-3-5-7-17;3-1(4)2(5)6/h3-9,12,14H,10-11H2,1-2H3;(H,3,4)(H,5,6)