5-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]carbamoyl]-2-chloranyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]carbamoyl]-2-chloranyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 5-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]carbamoyl]-2-chloro-N,N-dimethyl-benzenesulfonamide CAS Name: 5-[[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]hydrazo]-oxomethyl]-2-chloro-N,N-dimethylbenzenesulfonamide IUPAC Name: 5-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]carbamoyl]-2-chloro-N,N-dimethylbenzenesulfonamide Traditional Name: 5-[[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]carbamoyl]-2-chloro-N,N-dimethyl-benzenesulfonamide Formula: C18H17ClN4O4S3 MolecularWeight: 484.99998

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NNC(=O)CSC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NNC(=O)CSC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H17ClN4O4S3/c1-23(2)30(26,27)15-9-11(7-8-12(15)19)17(25)22-21-16(24)10-28-18-20-13-5-3-4-6-14(13)29-18/h3-9H,10H2,1-2H3,(H,21,24)(H,22,25)