[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: 3-(4-morpholinosulfonylphenyl)acrylic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C22H21N3O6S/c23-15-18-3-1-2-4-20(18)24-21(26)16-31-22(27)10-7-17-5-8-19(9-6-17)32(28,29)25-11-13-30-14-12-25/h1-10H,11-14,16H2,(H,24,26)