2-[(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-piperidin-4-yl-methyl]-3,4-dihydro-1H-isoquinoline hydrochloride

Systemtic Name: 2-[(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-piperidin-4-yl-methyl]-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 2-[(4-chloro-2,5-dimethyl-phenyl)sulfonyl-(4-piperidyl)methyl]-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 2-[(4-chloro-2,5-dimethylphenyl)sulfonyl-(4-piperidinyl)methyl]-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 2-[(4-chloro-2,5-dimethylphenyl)sulfonyl-piperidin-4-ylmethyl]-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 2-[(4-chloro-2,5-dimethyl-phenyl)sulfonyl-(4-piperidyl)methyl]-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C23H30Cl2N2O2S MolecularWeight: 469.4675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)C(C2CCNCC2)N3CCC4=CC=CC=C4C3.Cl

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)C(C2CCNCC2)N3CCC4=CC=CC=C4C3.Cl

InChI

InChI=1S/C23H29ClN2O2S.ClH/c1-16-14-22(17(2)13-21(16)24)29(27,28)23(19-7-10-25-11-8-19)26-12-9-18-5-3-4-6-20(18)15-26;/h3-6,13-14,19,23,25H,7-12,15H2,1-2H3;1H