benzenesulfonic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethyl-butan-1-amine

Systemtic Name: benzenesulfonic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethyl-butan-1-amine Openeye Name: benzenesulfonic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethyl-butan-1-amine CAS Name: benzenesulfonic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethyl-1-butanamine IUPAC Name: benzenesulfonic acid; 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine Traditional Name: besylic acid; [1-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-butyl]-dimethyl-amine Formula: C23H32ClNO3S MolecularWeight: 438.02308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H26ClN.C6H6O3S/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14;7-10(8,9)6-4-2-1-3-5-6/h6-9,13,16H,5,10-12H2,1-4H3;1-5H,(H,7,8,9)