1-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-2,5-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide

Systemtic Name: 1-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-2,5-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide Openeye Name: 1-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-2,5-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide CAS Name: 1-[2-[[3-(1-imidazolyl)propylamino]-oxomethyl]phenyl]-2,5-dimethyl-N-(4-methylsulfonylphenyl)-3-pyrrolecarboxamide IUPAC Name: 1-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-2,5-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide Traditional Name: 1-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-N-(4-mesylphenyl)-2,5-dimethyl-pyrrole-3-carboxamide Formula: C27H29N5O4S MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2C(=O)NCCCN3C=CN=C3)C)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2C(=O)NCCCN3C=CN=C3)C)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H29N5O4S/c1-19-17-24(27(34)30-21-9-11-22(12-10-21)37(3,35)36)20(2)32(19)25-8-5-4-7-23(25)26(33)29-13-6-15-31-16-14-28-18-31/h4-5,7-12,14,16-18H,6,13,15H2,1-3H3,(H,29,33)(H,30,34)