N-(2-methyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H17N3O3S3/c1-11-18-13-7-6-12(10-15(13)25-11)19-17(21)14-4-2-8-20(14)26(22,23)16-5-3-9-24-16/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,19,21)