3-(1,3-benzothiazol-2-ylamino)-N-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylamino)-N-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylamino)-N-[(4-methoxyphenyl)methyl]-N-(m-tolyl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylamino)-N-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylamino)-N-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylamino)-N-(m-tolyl)-N-p-anisyl-propane-1-sulfonamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)OC)S(=O)(=O)CCCNC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)OC)S(=O)(=O)CCCNC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H27N3O3S2/c1-19-7-5-8-21(17-19)28(18-20-11-13-22(31-2)14-12-20)33(29,30)16-6-15-26-25-27-23-9-3-4-10-24(23)32-25/h3-5,7-14,17H,6,15-16,18H2,1-2H3,(H,26,27)