N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propionamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H25N3O3S2/c1-18-11-12-22-24(19(18)2)27-25(32-22)28(16-21-10-6-7-14-26-21)23(29)13-15-33(30,31)17-20-8-4-3-5-9-20/h3-12,14H,13,15-17H2,1-2H3