methyl 1-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]cyclohexanecarboxylate CAS Name: 1-[[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylate Traditional Name: 1-[(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2(CCCCC2)C(=O)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2(CCCCC2)C(=O)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H28N2O6S/c1-27-16-9-8-15(14-17(16)29(25,26)22-12-6-7-13-22)18(23)21-20(19(24)28-2)10-4-3-5-11-20/h8-9,14H,3-7,10-13H2,1-2H3,(H,21,23)