N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-besyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propionamide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3O3S2/c1-17-11-12-18(2)23-22(17)26-24(31-23)27(16-19-8-6-7-14-25-19)21(28)13-15-32(29,30)20-9-4-3-5-10-20/h3-12,14H,13,15-16H2,1-2H3