ethyl 4-[[(2-chlorophenyl)methyl-naphthalen-2-ylsulfonyl-amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(2-chlorophenyl)methyl-naphthalen-2-ylsulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(2-chlorophenyl)methyl-(2-naphthylsulfonyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(2-chlorophenyl)methyl-(2-naphthalenylsulfonyl)amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2-chlorophenyl)methyl-naphthalen-2-ylsulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(2-chlorobenzyl)-(2-naphthylsulfonyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C27H30ClNO4S MolecularWeight: 500.0494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H30ClNO4S/c1-2-33-27(30)22-13-11-20(12-14-22)18-29(19-24-9-5-6-10-26(24)28)34(31,32)25-16-15-21-7-3-4-8-23(21)17-25/h3-10,15-17,20,22H,2,11-14,18-19H2,1H3