1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-(2-methylphenyl)azepane

Systemtic Name: 1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-(2-methylphenyl)azepane Openeye Name: 1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-(o-tolyl)azepane CAS Name: 1-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-2-(2-methylphenyl)azepane IUPAC Name: 1-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-2-(2-methylphenyl)azepane Traditional Name: 1-[[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-(o-tolyl)azepane Formula: C27H34N2O3S MolecularWeight: 466.63546

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=C(N2)CN3CCCCCC3C4=CC=CC=C4C

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=C(N2)CN3CCCCCC3C4=CC=CC=C4C

InChI

InChI=1S/C27H34N2O3S/c1-4-33(30,31)22-14-16-27(32-3)24(18-22)25-15-13-21(28-25)19-29-17-9-5-6-12-26(29)23-11-8-7-10-20(23)2/h7-8,10-11,13-16,18,26,28H,4-6,9,12,17,19H2,1-3H3