2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-1-methylsulfonyl-5-(phenylcarbonyl)pyrrole-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-1-methylsulfonyl-5-(phenylcarbonyl)pyrrole-3-carbonitrile Openeye Name: 2-amino-5-benzoyl-4-(3-bromo-4-methoxy-phenyl)-1-methylsulfonyl-pyrrole-3-carbonitrile CAS Name: 2-amino-5-benzoyl-4-(3-bromo-4-methoxyphenyl)-1-methylsulfonyl-3-pyrrolecarbonitrile IUPAC Name: 2-amino-5-benzoyl-4-(3-bromo-4-methoxyphenyl)-1-methylsulfonylpyrrole-3-carbonitrile Traditional Name: 2-amino-5-benzoyl-4-(3-bromo-4-methoxy-phenyl)-1-mesyl-pyrrole-3-carbonitrile Formula: C20H16BrN3O4S MolecularWeight: 474.32774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(C(=C2C#N)N)S(=O)(=O)C)C(=O)C3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(C(=C2C#N)N)S(=O)(=O)C)C(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C20H16BrN3O4S/c1-28-16-9-8-13(10-15(16)21)17-14(11-22)20(23)24(29(2,26)27)18(17)19(25)12-6-4-3-5-7-12/h3-10H,23H2,1-2H3