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

Systemtic Name: 1-[[5-[2-methoxy-5-(phenylmethyl)sulfonyl-phenyl]-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane Openeye Name: 1-[[5-(5-benzylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane CAS Name: 1-[[5-[2-methoxy-5-(phenylmethyl)sulfonylphenyl]-1H-pyrrol-2-yl]methyl]-2-phenylazepane IUPAC Name: 1-[[5-(5-benzylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-2-phenylazepane Traditional Name: 1-[[5-(5-benzylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane Formula: C31H34N2O3S MolecularWeight: 514.67826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)C3=CC=C(N3)CN4CCCCCC4C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)C3=CC=C(N3)CN4CCCCCC4C5=CC=CC=C5

InChI

InChI=1S/C31H34N2O3S/c1-36-31-19-17-27(37(34,35)23-24-11-5-2-6-12-24)21-28(31)29-18-16-26(32-29)22-33-20-10-4-9-15-30(33)25-13-7-3-8-14-25/h2-3,5-8,11-14,16-19,21,30,32H,4,9-10,15,20,22-23H2,1H3