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

Systemtic Name: 1-[[5-(3-bromanyl-5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane Openeye Name: 1-[[5-(3-bromo-5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane CAS Name: 1-[[5-(3-bromo-5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-2-phenylazepane IUPAC Name: 1-[[5-(3-bromo-5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-2-phenylazepane Traditional Name: 1-[[5-(3-bromo-5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane Formula: C26H31BrN2O3S MolecularWeight: 531.50494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31BrN2O3S/c1-3-33(30,31)21-16-22(26(32-2)23(27)17-21)24-14-13-20(28-24)18-29-15-9-5-8-12-25(29)19-10-6-4-7-11-19/h4,6-7,10-11,13-14,16-17,25,28H,3,5,8-9,12,15,18H2,1-2H3