4,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-pyrrol-1-yl-thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-pyrrol-1-yl-thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-pyrrol-1-yl-thiophene-3-carboxamide CAS Name: 4,5-dimethyl-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-(1-pyrrolyl)-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-pyrrol-1-ylthiophene-3-carboxamide Traditional Name: 4,5-dimethyl-N-(3-pyrrolidinosulfonylphenyl)-2-pyrrol-1-yl-thiophene-3-carboxamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)N4C=CC=C4)C

InChI

InChI=1S/C21H23N3O3S2/c1-15-16(2)28-21(23-10-3-4-11-23)19(15)20(25)22-17-8-7-9-18(14-17)29(26,27)24-12-5-6-13-24/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,22,25)