N-[5-chloranyl-2-(3-methylpiperazin-1-yl)carbonyl-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[5-chloranyl-2-(3-methylpiperazin-1-yl)carbonyl-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[5-chloro-2-[(3-methyl-1-piperazinyl)-oxomethyl]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]piazthiole-4-sulfonamide Formula: C18H18ClN5O3S2 MolecularWeight: 451.95022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=O)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1CN(CCN1)C(=O)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H18ClN5O3S2/c1-11-10-24(8-7-20-11)18(25)13-6-5-12(19)9-15(13)23-29(26,27)16-4-2-3-14-17(16)22-28-21-14/h2-6,9,11,20,23H,7-8,10H2,1H3