N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C18H19N3O3S3 MolecularWeight: 421.55676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N3O3S3/c1-11-9-13-15(10-12(11)2)26-18(19-13)20-17(22)14-5-3-7-21(14)27(23,24)16-6-4-8-25-16/h4,6,8-10,14H,3,5,7H2,1-2H3,(H,19,20,22)