N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)pyrrol-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)pyrrol-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-isobutyl-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-2-yl]thiophene-2-carboxamide CAS Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)-2-pyrrolyl]-2-thiophenecarboxamide IUPAC Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)pyrrol-2-yl]thiophene-2-carboxamide Traditional Name: N-(1-isobutyl-4,5-dimethyl-3-tosyl-pyrrol-2-yl)thiophene-2-carboxamide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC(C)C)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC(C)C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H26N2O3S2/c1-14(2)13-24-17(5)16(4)20(21(24)23-22(25)19-7-6-12-28-19)29(26,27)18-10-8-15(3)9-11-18/h6-12,14H,13H2,1-5H3,(H,23,25)