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

Systemtic Name: 1-[1-[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]ethyl]-2-phenyl-azepane Openeye Name: 1-[1-[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]ethyl]-2-phenyl-azepane CAS Name: 1-[1-[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]ethyl]-2-phenylazepane IUPAC Name: 1-[1-[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]ethyl]-2-phenylazepane Traditional Name: 1-[1-[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]ethyl]-2-phenyl-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)C(C)N3CCCCCC3C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=C(N2)C(C)N3CCCCCC3C4=CC=CC=C4

InChI

InChI=1S/C27H34N2O3S/c1-4-33(30,31)22-14-17-27(32-3)23(19-22)25-16-15-24(28-25)20(2)29-18-10-6-9-13-26(29)21-11-7-5-8-12-21/h5,7-8,11-12,14-17,19-20,26,28H,4,6,9-10,13,18H2,1-3H3