N-[(2R)-2-[(4-chlorophenyl)methyl-(phenylcarbonyl)amino]cyclohexyl]-1-ethylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(2R)-2-[(4-chlorophenyl)methyl-(phenylcarbonyl)amino]cyclohexyl]-1-ethylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[(2R)-2-[benzoyl-[(4-chlorophenyl)methyl]amino]cyclohexyl]-1-ethylsulfonyl-piperidine-3-carboxamide CAS Name: N-[(2R)-2-[benzoyl-[(4-chlorophenyl)methyl]amino]cyclohexyl]-1-ethylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(2R)-2-[benzoyl-[(4-chlorophenyl)methyl]amino]cyclohexyl]-1-ethylsulfonylpiperidine-3-carboxamide Traditional Name: N-[(2R)-2-[benzoyl-(4-chlorobenzyl)amino]cyclohexyl]-1-esyl-nipecotamide Formula: C28H36ClN3O4S MolecularWeight: 546.12114

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCCC(C1)C(=O)NC2CCCCC2N(CC3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CCCC(C1)C(=O)NC2CCCC[C@H]2N(CC3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H36ClN3O4S/c1-2-37(35,36)31-18-8-11-23(20-31)27(33)30-25-12-6-7-13-26(25)32(19-21-14-16-24(29)17-15-21)28(34)22-9-4-3-5-10-22/h3-5,9-10,14-17,23,25-26H,2,6-8,11-13,18-20H2,1H3,(H,30,33)/t23?,25?,26-/m1/s1