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

Systemtic Name: 1-[[5-(2-methoxy-5-propan-2-ylsulfonyl-phenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride Openeye Name: 1-[[5-(5-isopropylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride CAS Name: 1-[[5-(2-methoxy-5-propan-2-ylsulfonylphenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride IUPAC Name: 1-[[5-(2-methoxy-5-propan-2-ylsulfonylphenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride Traditional Name: 1-[[5-(5-isopropylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride Formula: C20H29ClN2O3S MolecularWeight: 412.97386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S.ClH/c1-15(2)26(23,24)17-8-10-20(25-3)18(13-17)19-9-7-16(21-19)14-22-11-5-4-6-12-22;/h7-10,13,15,21H,4-6,11-12,14H2,1-3H3;1H