2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-1-(4-methoxyphenyl)sulfonyl-5-(phenylcarbonyl)pyrrole-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-1-(4-methoxyphenyl)sulfonyl-5-(phenylcarbonyl)pyrrole-3-carbonitrile Openeye Name: 2-amino-5-benzoyl-4-(3-bromo-4,5-dimethoxy-phenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrole-3-carbonitrile CAS Name: 2-amino-5-benzoyl-4-(3-bromo-4,5-dimethoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3-pyrrolecarbonitrile IUPAC Name: 2-amino-5-benzoyl-4-(3-bromo-4,5-dimethoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrole-3-carbonitrile Traditional Name: 2-amino-5-benzoyl-4-(3-bromo-4,5-dimethoxy-phenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrole-3-carbonitrile Formula: C27H22BrN3O6S MolecularWeight: 596.44908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=C2N)C#N)C3=CC(=C(C(=C3)Br)OC)OC)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=C2N)C#N)C3=CC(=C(C(=C3)Br)OC)OC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H22BrN3O6S/c1-35-18-9-11-19(12-10-18)38(33,34)31-24(25(32)16-7-5-4-6-8-16)23(20(15-29)27(31)30)17-13-21(28)26(37-3)22(14-17)36-2/h4-14H,30H2,1-3H3