methyl 1-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]cyclohexanecarboxylate CAS Name: 1-[[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylate Traditional Name: 1-[(2-methyl-5-pyrrolidinosulfonyl-benzoyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3(CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3(CCCCC3)C(=O)OC

InChI

InChI=1S/C20H28N2O5S/c1-15-8-9-16(28(25,26)22-12-6-7-13-22)14-17(15)18(23)21-20(19(24)27-2)10-4-3-5-11-20/h8-9,14H,3-7,10-13H2,1-2H3,(H,21,23)