N-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(p-tolylsulfonyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-4-tosyl-butyramide Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

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