[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H21N3O5S2/c1-14-5-6-15(11-17(14)30(26,27)23-8-3-2-4-9-23)20(25)28-13-18(24)22-19-16(12-21)7-10-29-19/h5-7,10-11H,2-4,8-9,13H2,1H3,(H,22,24)