N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-pyridin-4-yl-butanediamide

Systemtic Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-pyridin-4-yl-butanediamide Openeye Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(4-pyridyl)butanediamide CAS Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-pyridin-4-ylbutanediamide IUPAC Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-pyridin-4-ylbutanediamide Traditional Name: N'-(6-mesyl-1,3-benzothiazol-2-yl)-N-(4-pyridyl)succinamide Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)NC3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)NC3=CC=NC=C3

InChI

InChI=1S/C17H16N4O4S2/c1-27(24,25)12-2-3-13-14(10-12)26-17(20-13)21-16(23)5-4-15(22)19-11-6-8-18-9-7-11/h2-3,6-10H,4-5H2,1H3,(H,18,19,22)(H,20,21,23)