N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-3-tosyl-propionamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

InChI

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