N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-pyrrolidinosulfonyl-benzamide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C18H19N3O3S2/c1-12-13(2)25-18(16(12)11-19)20-17(22)14-5-7-15(8-6-14)26(23,24)21-9-3-4-10-21/h5-8H,3-4,9-10H2,1-2H3,(H,20,22)