5-azanyl-3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(phenylcarbonyl)-2,3-dihydropyrrole-4-carbonitrile

Systemtic Name: 5-azanyl-3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-(phenylcarbonyl)-2,3-dihydropyrrole-4-carbonitrile Openeye Name: 5-amino-2-benzoyl-3-(3,4-dimethoxyphenyl)-1-(p-tolylsulfonyl)-2,3-dihydropyrrole-4-carbonitrile CAS Name: 5-amino-2-benzoyl-3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-4-carbonitrile IUPAC Name: 5-amino-2-benzoyl-3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-4-carbonitrile Traditional Name: 2-amino-5-benzoyl-4-(3,4-dimethoxyphenyl)-1-tosyl-2-pyrroline-3-carbonitrile Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C(=C2N)C#N)C3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C(=C2N)C#N)C3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O5S/c1-17-9-12-20(13-10-17)36(32,33)30-25(26(31)18-7-5-4-6-8-18)24(21(16-28)27(30)29)19-11-14-22(34-2)23(15-19)35-3/h4-15,24-25H,29H2,1-3H3