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

Systemtic Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanediamide Openeye Name: N-benzyl-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide CAS Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanediamide IUPAC Name: N-benzyl-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide Traditional Name: N-benzyl-N'-(6-mesyl-1,3-benzothiazol-2-yl)succinamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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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=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S2/c1-28(25,26)14-7-8-15-16(11-14)27-19(21-15)22-18(24)10-9-17(23)20-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22,24)