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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-besyl-N-(4-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O3S2/c1-19-10-8-15-22-24(19)26-25(31-22)27(18-20-11-4-2-5-12-20)23(28)16-9-17-32(29,30)21-13-6-3-7-14-21/h2-8,10-15H,9,16-18H2,1H3