N-(1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-besyl-N-(2-pyridylmethyl)butyramide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N3O3S2/c27-22(14-8-16-31(28,29)19-10-2-1-3-11-19)26(17-18-9-6-7-15-24-18)23-25-20-12-4-5-13-21(20)30-23/h1-7,9-13,15H,8,14,16-17H2