N-[(2,4-dichlorophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(2,4-dichlorobenzyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C19H22Cl2N3O3S+ MolecularWeight: 443.36728

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H21Cl2N3O3S/c1-23-7-9-24(10-8-23)28(26,27)17-4-2-3-14(11-17)19(25)22-13-15-5-6-16(20)12-18(15)21/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)/p+1