1-(3-imidazol-1-ylpropyl)-2,5-dimethyl-N-(4-methylphenyl)sulfonyl-pyrrole-3-carboxamide

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-2,5-dimethyl-N-(4-methylphenyl)sulfonyl-pyrrole-3-carboxamide Openeye Name: 1-(3-imidazol-1-ylpropyl)-2,5-dimethyl-N-(p-tolylsulfonyl)pyrrole-3-carboxamide CAS Name: 1-[3-(1-imidazolyl)propyl]-2,5-dimethyl-N-(4-methylphenyl)sulfonyl-3-pyrrolecarboxamide IUPAC Name: 1-(3-imidazol-1-ylpropyl)-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide Traditional Name: 1-(3-imidazol-1-ylpropyl)-2,5-dimethyl-N-tosyl-pyrrole-3-carboxamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)CCCN3C=CN=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)CCCN3C=CN=C3)C

InChI

InChI=1S/C20H24N4O3S/c1-15-5-7-18(8-6-15)28(26,27)22-20(25)19-13-16(2)24(17(19)3)11-4-10-23-12-9-21-14-23/h5-9,12-14H,4,10-11H2,1-3H3,(H,22,25)