N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H22ClN6O3S+ MolecularWeight: 461.94508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C20H21ClN6O3S/c1-25-7-9-26(10-8-25)31(29,30)17-4-2-3-15(11-17)20(28)24-18-12-16(21)5-6-19(18)27-14-22-13-23-27/h2-6,11-14H,7-10H2,1H3,(H,24,28)/p+1