N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-keto-2-(4-piazthiol-4-ylsulfonylpiperazino)ethyl]-3,4-dimethyl-benzamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S2/c1-14-6-7-16(12-15(14)2)21(28)22-13-19(27)25-8-10-26(11-9-25)32(29,30)18-5-3-4-17-20(18)24-31-23-17/h3-7,12H,8-11,13H2,1-2H3,(H,22,28)