methyl 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]cyclohexanecarboxylate CAS Name: 1-[[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[3-(4-pyrrolidinosulfonylphenyl)propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H30N2O5S/c1-28-20(25)21(13-3-2-4-14-21)22-19(24)12-9-17-7-10-18(11-8-17)29(26,27)23-15-5-6-16-23/h7-8,10-11H,2-6,9,12-16H2,1H3,(H,22,24)