3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]carbonyl-4-methyl-benzenesulfonamide

Systemtic Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]carbonyl-4-methyl-benzenesulfonamide Openeye Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]-4-methyl-benzenesulfonamide CAS Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-oxomethyl]-4-methylbenzenesulfonamide IUPAC Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide Traditional Name: 4-methyl-3-(4-piazthiol-4-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide Formula: C18H19N5O5S3 MolecularWeight: 481.56896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H19N5O5S3/c1-12-5-6-13(30(19,25)26)11-14(12)18(24)22-7-9-23(10-8-22)31(27,28)16-4-2-3-15-17(16)21-29-20-15/h2-6,11H,7-10H2,1H3,(H2,19,25,26)