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

Systemtic Name: 4-chloranyl-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-3-pyrrolidinosulfonyl-benzamide Formula: C18H18ClN3O3S2 MolecularWeight: 423.93682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3S2/c1-11-12(2)26-18(14(11)10-20)21-17(23)13-5-6-15(19)16(9-13)27(24,25)22-7-3-4-8-22/h5-6,9H,3-4,7-8H2,1-2H3,(H,21,23)