[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxyphenyl)sulfonylamino]propanoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxyphenyl)sulfonylamino]propionic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C20H21N3O6S/c1-28-16-6-8-17(9-7-16)30(26,27)22-12-10-20(25)29-13-11-19(24)23-18-5-3-2-4-15(18)14-21/h2-9,22H,10-13H2,1H3,(H,23,24)