methyl 1-[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-2-carboxylate

Systemtic Name: methyl 1-[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-2-carboxylate Openeye Name: methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]piperidine-2-carboxylate CAS Name: 1-[2-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]piperidine-2-carboxylate Traditional Name: 1-[2-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]pipecolinic acid methyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN2CCCCC2C(=O)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN2CCCCC2C(=O)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H31N3O6S/c1-3-30-18-10-9-16(14-19(18)31(27,28)24-12-6-7-13-24)22-20(25)15-23-11-5-4-8-17(23)21(26)29-2/h9-10,14,17H,3-8,11-13,15H2,1-2H3,(H,22,25)