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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S2/c1-17-8-7-12-20-22(17)25-23(30-20)26(16-18-9-5-6-14-24-18)21(27)13-15-31(28,29)19-10-3-2-4-11-19/h2-12,14H,13,15-16H2,1H3