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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(pyridin-4-ylmethyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(4-pyridylmethyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide Traditional Name: 4-besyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(4-pyridylmethyl)butyramide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3S2/c1-18-7-5-10-21-23(18)26-24(31-21)27(17-19-12-14-25-15-13-19)22(28)11-6-16-32(29,30)20-8-3-2-4-9-20/h2-5,7-10,12-15H,6,11,16-17H2,1H3