N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4,5-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=C(C2=C(C=C1)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)C

InChI

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