N-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H28ClN4O5S+ MolecularWeight: 495.99952

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)CC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)CC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C22H27ClN4O5S/c1-25-9-11-27(12-10-25)33(30,31)18-6-4-5-16(13-18)22(29)26(2)15-21(28)24-19-14-17(23)7-8-20(19)32-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,28)/p+1