N-(4-chloranyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C16H14ClN3O3S3 MolecularWeight: 427.94866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C16H14ClN3O3S3/c17-10-4-1-6-12-14(10)18-16(25-12)19-15(21)11-5-2-8-20(11)26(22,23)13-7-3-9-24-13/h1,3-4,6-7,9,11H,2,5,8H2,(H,18,19,21)