N-[4-[[4-(1,3-benzothiazol-2-yl)butanoylamino]carbamoyl]phenyl]thiophene-2-sulfonamide

Systemtic Name: N-[4-[[4-(1,3-benzothiazol-2-yl)butanoylamino]carbamoyl]phenyl]thiophene-2-sulfonamide Openeye Name: N-[4-[[4-(1,3-benzothiazol-2-yl)butanoylamino]carbamoyl]phenyl]thiophene-2-sulfonamide CAS Name: N-[4-[[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]hydrazo]-oxomethyl]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[4-[[4-(1,3-benzothiazol-2-yl)butanoylamino]carbamoyl]phenyl]thiophene-2-sulfonamide Traditional Name: N-[4-[[4-(1,3-benzothiazol-2-yl)butanoylamino]carbamoyl]phenyl]thiophene-2-sulfonamide Formula: C22H20N4O4S3 MolecularWeight: 500.6136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N4O4S3/c27-19(7-3-8-20-23-17-5-1-2-6-18(17)32-20)24-25-22(28)15-10-12-16(13-11-15)26-33(29,30)21-9-4-14-31-21/h1-2,4-6,9-14,26H,3,7-8H2,(H,24,27)(H,25,28)