3-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide Openeye Name: 3-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: 3-[[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]hydrazo]-oxomethyl]-N-(2-methoxyphenyl)benzenesulfonamide IUPAC Name: 3-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: 3-[[4-(1,3-benzothiazol-2-ylthio)butanoylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide Formula: C25H24N4O5S3 MolecularWeight: 556.67686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H24N4O5S3/c1-34-21-12-4-2-10-19(21)29-37(32,33)18-9-6-8-17(16-18)24(31)28-27-23(30)14-7-15-35-25-26-20-11-3-5-13-22(20)36-25/h2-6,8-13,16,29H,7,14-15H2,1H3,(H,27,30)(H,28,31)