methyl 4-[bis(phenylmethyl)amino]-1-(butylsulfonylamino)cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[bis(phenylmethyl)amino]-1-(butylsulfonylamino)cyclohexane-1-carboxylate Openeye Name: methyl 1-(butylsulfonylamino)-4-(dibenzylamino)cyclohexanecarboxylate CAS Name: 4-[bis(phenylmethyl)amino]-1-(butylsulfonylamino)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-(butylsulfonylamino)-4-(dibenzylamino)cyclohexane-1-carboxylate Traditional Name: 1-(butylsulfonylamino)-4-(dibenzylamino)cyclohexanecarboxylic acid methyl ester Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1(CCC(CC1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCS(=O)(=O)NC1(CCC(CC1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H36N2O4S/c1-3-4-19-33(30,31)27-26(25(29)32-2)17-15-24(16-18-26)28(20-22-11-7-5-8-12-22)21-23-13-9-6-10-14-23/h5-14,24,27H,3-4,15-21H2,1-2H3