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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S2/c1-15-4-2-5-16(14-15)21(28)22-9-8-19(27)25-10-12-26(13-11-25)32(29,30)18-7-3-6-17-20(18)24-31-23-17/h2-7,14H,8-13H2,1H3,(H,22,28)