N-(4-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3S2/c1-19-8-5-12-22-24(19)27-25(32-22)28(17-21-11-6-14-26-16-21)23(29)13-7-15-33(30,31)18-20-9-3-2-4-10-20/h2-6,8-12,14,16H,7,13,15,17-18H2,1H3