N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-tosyl-butyramide Formula: C27H28N2O5S2 MolecularWeight: 524.65162

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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=C(C=CC(=C4S3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O5S2/c1-19-11-13-21(14-12-19)36(31,32)17-7-10-24(30)29(18-20-8-5-4-6-9-20)27-28-25-22(33-2)15-16-23(34-3)26(25)35-27/h4-6,8-9,11-16H,7,10,17-18H2,1-3H3