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

Systemtic Name: 1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane Openeye Name: 1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane CAS Name: 1-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-2-phenylazepane IUPAC Name: 1-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-2-phenylazepane Traditional Name: 1-[[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane Formula: C26H32N2O3S MolecularWeight: 452.60888

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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=C4

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=C(N2)CN3CCCCCC3C4=CC=CC=C4

InChI

InChI=1S/C26H32N2O3S/c1-3-32(29,30)22-14-16-26(31-2)23(18-22)24-15-13-21(27-24)19-28-17-9-5-8-12-25(28)20-10-6-4-7-11-20/h4,6-7,10-11,13-16,18,25,27H,3,5,8-9,12,17,19H2,1-2H3