N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propanamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propionamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4)C

InChI

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