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

Systemtic Name: N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H24Cl2N3O3S+ MolecularWeight: 457.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H23Cl2N3O3S/c1-14(15-6-7-18(21)19(22)13-15)23-20(26)16-4-3-5-17(12-16)29(27,28)25-10-8-24(2)9-11-25/h3-7,12-14H,8-11H2,1-2H3,(H,23,26)/p+1/t14-/m0/s1