N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(4-chlorophenyl)methyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(4-chlorobenzyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C19H23ClN3O3S+ MolecularWeight: 408.92222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O3S/c1-22-9-11-23(12-10-22)27(25,26)18-4-2-3-16(13-18)19(24)21-14-15-5-7-17(20)8-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,24)/p+1