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

Systemtic Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanediamide Openeye Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanediamide CAS Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)butanediamide IUPAC Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanediamide Traditional Name: N'-(6-mesyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)succinamide Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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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)NCC3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C18H18N4O4S2/c1-28(25,26)13-4-5-14-15(9-13)27-18(21-14)22-17(24)7-6-16(23)20-11-12-3-2-8-19-10-12/h2-5,8-10H,6-7,11H2,1H3,(H,20,23)(H,21,22,24)