1-[[5-(2-methoxy-5-methylsulfonyl-phenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride

Systemtic Name: 1-[[5-(2-methoxy-5-methylsulfonyl-phenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride Openeye Name: 1-[[5-(2-methoxy-5-methylsulfonyl-phenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride CAS Name: 1-[[5-(2-methoxy-5-methylsulfonylphenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride IUPAC Name: 1-[[5-(2-methoxy-5-methylsulfonylphenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride Traditional Name: 1-[[5-(5-mesyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride Formula: C18H25ClN2O3S MolecularWeight: 384.9207

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C)C2=CC=C(N2)CN3CCCCC3.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C)C2=CC=C(N2)CN3CCCCC3.Cl

InChI

InChI=1S/C18H24N2O3S.ClH/c1-23-18-9-7-15(24(2,21)22)12-16(18)17-8-6-14(19-17)13-20-10-4-3-5-11-20;/h6-9,12,19H,3-5,10-11,13H2,1-2H3;1H