cyclohexylsulfamic acid; [1-(2-dimethylaminoethyl)-2-phenyl-cyclohexyl] ethanoate

Systemtic Name: cyclohexylsulfamic acid; [1-(2-dimethylaminoethyl)-2-phenyl-cyclohexyl] ethanoate Openeye Name: cyclohexylsulfamic acid; [1-(2-dimethylaminoethyl)-2-phenyl-cyclohexyl] acetate CAS Name: acetic acid [1-(2-dimethylaminoethyl)-2-phenylcyclohexyl] ester; cyclohexylsulfamic acid IUPAC Name: cyclohexylsulfamic acid; [1-(2-dimethylaminoethyl)-2-phenylcyclohexyl] acetate Traditional Name: acetic acid [1-(2-dimethylaminoethyl)-2-phenyl-cyclohexyl] ester; cyclohexylsulfamic acid Formula: C24H40N2O5S MolecularWeight: 468.6498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCCCC1C2=CC=CC=C2)CCN(C)C.C1CCC(CC1)NS(=O)(=O)O

Isomeric SMILES

CC(=O)OC1(CCCCC1C2=CC=CC=C2)CCN(C)C.C1CCC(CC1)NS(=O)(=O)O

InChI

InChI=1S/C18H27NO2.C6H13NO3S/c1-15(20)21-18(13-14-19(2)3)12-8-7-11-17(18)16-9-5-4-6-10-16;8-11(9,10)7-6-4-2-1-3-5-6/h4-6,9-10,17H,7-8,11-14H2,1-3H3;6-7H,1-5H2,(H,8,9,10)