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

Systemtic Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-pyrrol-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-allyl-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-2-yl]thiophene-2-carboxamide CAS Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-2-pyrrolyl]-2-thiophenecarboxamide IUPAC Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enylpyrrol-2-yl]thiophene-2-carboxamide Traditional Name: N-(1-allyl-4,5-dimethyl-3-tosyl-pyrrol-2-yl)thiophene-2-carboxamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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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)NC(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-5-12-23-16(4)15(3)19(20(23)22-21(24)18-7-6-13-27-18)28(25,26)17-10-8-14(2)9-11-17/h5-11,13H,1,12H2,2-4H3,(H,22,24)