N'-[(4-chlorophenyl)methyl]-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]ethanediamide

Systemtic Name: N'-[(4-chlorophenyl)methyl]-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]ethanediamide Openeye Name: N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-[(4-chlorophenyl)methyl]-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]oxamide Traditional Name: N'-(4-chlorobenzyl)-N-[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]oxamide Formula: C25H28ClN4O4S+ MolecularWeight: 516.03222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27ClN4O4S/c26-22-8-5-19(6-9-22)18-28-25(32)24(31)27-11-12-29-13-15-30(16-14-29)35(33,34)23-10-7-20-3-1-2-4-21(20)17-23/h1-10,17H,11-16,18H2,(H,27,31)(H,28,32)/p+1