[2-[bis(phenylmethyl)amino]-1-oxidanyl-cyclohexyl]methanesulfonic acid

Systemtic Name: [2-[bis(phenylmethyl)amino]-1-oxidanyl-cyclohexyl]methanesulfonic acid Openeye Name: [2-(dibenzylamino)-1-hydroxy-cyclohexyl]methanesulfonic acid CAS Name: [2-[bis(phenylmethyl)amino]-1-hydroxycyclohexyl]methanesulfonic acid IUPAC Name: [2-(dibenzylamino)-1-hydroxycyclohexyl]methanesulfonic acid Traditional Name: [2-(dibenzylamino)-1-hydroxy-cyclohexyl]methanesulfonic acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)(CS(=O)(=O)O)O

Isomeric SMILES

C1CCC(C(C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)(CS(=O)(=O)O)O

InChI

InChI=1S/C21H27NO4S/c23-21(17-27(24,25)26)14-8-7-13-20(21)22(15-18-9-3-1-4-10-18)16-19-11-5-2-6-12-19/h1-6,9-12,20,23H,7-8,13-17H2,(H,24,25,26)