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

Systemtic Name: 1-[[5-(2-methoxy-5-propan-2-ylsulfonyl-phenyl)-1H-pyrrol-2-yl]methyl]piperidine Openeye Name: 1-[[5-(5-isopropylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]piperidine CAS Name: 1-[[5-(2-methoxy-5-propan-2-ylsulfonylphenyl)-1H-pyrrol-2-yl]methyl]piperidine IUPAC Name: 1-[[5-(2-methoxy-5-propan-2-ylsulfonylphenyl)-1H-pyrrol-2-yl]methyl]piperidine Traditional Name: 1-[[5-(5-isopropylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]piperidine Formula: C20H28N2O3S MolecularWeight: 376.51292

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S/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