N-(1,3-benzothiazol-6-yl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(1,3-benzothiazol-6-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(1,3-benzothiazol-6-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(1,3-benzothiazol-6-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(1,3-benzothiazol-6-yl)butanamide Traditional Name: N-(1,3-benzothiazol-6-yl)-4-besyl-butyramide Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=CC3=C(C=C2)N=CS3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C17H16N2O3S2/c20-17(19-13-8-9-15-16(11-13)23-12-18-15)7-4-10-24(21,22)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,19,20)