phenyl 2-[4-(dimethylaminomethyl)phenyl]sulfinylpiperidine-1-carboxylate hydrochloride

Systemtic Name: phenyl 2-[4-(dimethylaminomethyl)phenyl]sulfinylpiperidine-1-carboxylate hydrochloride Openeye Name: phenyl 2-[4-(dimethylaminomethyl)phenyl]sulfinylpiperidine-1-carboxylate hydrochloride CAS Name: 2-[4-(dimethylaminomethyl)phenyl]sulfinyl-1-piperidinecarboxylic acid phenyl ester hydrochloride IUPAC Name: phenyl 2-[4-(dimethylaminomethyl)phenyl]sulfinylpiperidine-1-carboxylate hydrochloride Traditional Name: 2-[4-(dimethylaminomethyl)phenyl]sulfinylpiperidine-1-carboxylic acid phenyl ester hydrochloride Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)S(=O)C2CCCCN2C(=O)OC3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)S(=O)C2CCCCN2C(=O)OC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H26N2O3S.ClH/c1-22(2)16-17-11-13-19(14-12-17)27(25)20-10-6-7-15-23(20)21(24)26-18-8-4-3-5-9-18;/h3-5,8-9,11-14,20H,6-7,10,15-16H2,1-2H3;1H