cyclohexylsulfamic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethynyl-5-methoxy-phenyl)-N-methyl-propan-1-amine

Systemtic Name: cyclohexylsulfamic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethynyl-5-methoxy-phenyl)-N-methyl-propan-1-amine Openeye Name: cyclohexylsulfamic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethynyl-5-methoxy-phenyl)-N-methyl-propan-1-amine CAS Name: cyclohexylsulfamic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethynyl-5-methoxyphenyl)-N-methyl-1-propanamine IUPAC Name: cyclohexylsulfamic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethynyl-5-methoxyphenyl)-N-methylpropan-1-amine Traditional Name: cyclohexylsulfamic acid; 3-(2-ethynyl-5-methoxy-phenyl)propyl-homoveratryl-methyl-amine Formula: C29H42N2O6S MolecularWeight: 546.71858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=C(C=CC(=C1)OC)C#C)CCC2=CC(=C(C=C2)OC)OC.C1CCC(CC1)NS(=O)(=O)O

Isomeric SMILES

CN(CCCC1=C(C=CC(=C1)OC)C#C)CCC2=CC(=C(C=C2)OC)OC.C1CCC(CC1)NS(=O)(=O)O

InChI

InChI=1S/C23H29NO3.C6H13NO3S/c1-6-19-10-11-21(25-3)17-20(19)8-7-14-24(2)15-13-18-9-12-22(26-4)23(16-18)27-5;8-11(9,10)7-6-4-2-1-3-5-6/h1,9-12,16-17H,7-8,13-15H2,2-5H3;6-7H,1-5H2,(H,8,9,10)