4-[[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide

Systemtic Name: 4-[[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide Openeye Name: 4-[[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]carbamoyl]-N-(p-tolyl)benzenesulfonamide CAS Name: 4-[[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]hydrazo]-oxomethyl]-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: 4-[[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 4-[[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]carbamoyl]-N-(p-tolyl)benzenesulfonamide Formula: C23H21N5O4S2 MolecularWeight: 495.57394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)CNC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)CNC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N5O4S2/c1-15-6-10-17(11-7-15)28-34(31,32)18-12-8-16(9-13-18)22(30)27-26-21(29)14-24-23-25-19-4-2-3-5-20(19)33-23/h2-13,28H,14H2,1H3,(H,24,25)(H,26,29)(H,27,30)