1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-(3-methoxyphenyl)azepane

Systemtic Name: 1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-(3-methoxyphenyl)azepane Openeye Name: 1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-(3-methoxyphenyl)azepane CAS Name: 1-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-2-(3-methoxyphenyl)azepane IUPAC Name: 1-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-2-(3-methoxyphenyl)azepane Traditional Name: 1-[[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-(3-methoxyphenyl)azepane Formula: C27H34N2O4S MolecularWeight: 482.63486

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O4S/c1-4-34(30,31)23-13-15-27(33-3)24(18-23)25-14-12-21(28-25)19-29-16-7-5-6-11-26(29)20-9-8-10-22(17-20)32-2/h8-10,12-15,17-18,26,28H,4-7,11,16,19H2,1-3H3