N-(2-cyanoethyl)-N-ethyl-5-[2-[(3-methylphenyl)amino]pyrimidin-4-yl]thiophene-2-sulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-ethyl-5-[2-[(3-methylphenyl)amino]pyrimidin-4-yl]thiophene-2-sulfonamide Openeye Name: N-(2-cyanoethyl)-N-ethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]thiophene-2-sulfonamide CAS Name: N-(2-cyanoethyl)-N-ethyl-5-[2-(3-methylanilino)-4-pyrimidinyl]-2-thiophenesulfonamide IUPAC Name: N-(2-cyanoethyl)-N-ethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]thiophene-2-sulfonamide Traditional Name: N-(2-cyanoethyl)-N-ethyl-5-[2-(m-toluidino)pyrimidin-4-yl]thiophene-2-sulfonamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)S(=O)(=O)C1=CC=C(S1)C2=NC(=NC=C2)NC3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCC#N)S(=O)(=O)C1=CC=C(S1)C2=NC(=NC=C2)NC3=CC=CC(=C3)C

InChI

InChI=1S/C20H21N5O2S2/c1-3-25(13-5-11-21)29(26,27)19-9-8-18(28-19)17-10-12-22-20(24-17)23-16-7-4-6-15(2)14-16/h4,6-10,12,14H,3,5,13H2,1-2H3,(H,22,23,24)