N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-yl-thiazole-4-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(1-pyrrolidinyl)-4-thiazolecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-pyrrolidino-thiazole-4-carboxamide Formula: C16H16N4O3S3 MolecularWeight: 408.51824

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CSC(=N3)N4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CSC(=N3)N4CCCC4

InChI

InChI=1S/C16H16N4O3S3/c1-26(22,23)10-4-5-11-13(8-10)25-15(17-11)19-14(21)12-9-24-16(18-12)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,19,21)