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

Systemtic Name: methyl 1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylate Traditional Name: 1-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C20H27ClN2O5S MolecularWeight: 442.95678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C20H27ClN2O5S/c1-28-19(25)20(10-4-2-5-11-20)22-18(24)16-14-15(8-9-17(16)21)29(26,27)23-12-6-3-7-13-23/h8-9,14H,2-7,10-13H2,1H3,(H,22,24)