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

Systemtic Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-pyrrol-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-isopropyl-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-2-yl]thiophene-2-carboxamide CAS Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-2-pyrrolyl]-2-thiophenecarboxamide IUPAC Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]thiophene-2-carboxamide Traditional Name: N-(1-isopropyl-4,5-dimethyl-3-tosyl-pyrrol-2-yl)thiophene-2-carboxamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S2/c1-13(2)23-16(5)15(4)19(20(23)22-21(24)18-7-6-12-27-18)28(25,26)17-10-8-14(3)9-11-17/h6-13H,1-5H3,(H,22,24)