N-(6-methyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(pyridin-4-ylmethyl)butanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(pyridin-4-ylmethyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(4-pyridylmethyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide Traditional Name: 4-besyl-N-(6-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=CC2=C(C=C1)N=C(S2)N(CC3=CC=NC=C3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=NC=C3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

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