N'-(3-chloranyl-4-methyl-phenyl)-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]ethanediamide

Systemtic Name: N'-(3-chloranyl-4-methyl-phenyl)-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]ethanediamide Openeye Name: N'-(3-chloro-4-methyl-phenyl)-N-[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(3-chloro-4-methylphenyl)-N-[2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(3-chloro-4-methylphenyl)-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]oxamide Traditional Name: N'-(3-chloro-4-methyl-phenyl)-N-[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]oxamide Formula: C25H28ClN4O4S+ MolecularWeight: 516.03222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)Cl

InChI

InChI=1S/C25H27ClN4O4S/c1-18-6-8-21(17-23(18)26)28-25(32)24(31)27-10-11-29-12-14-30(15-13-29)35(33,34)22-9-7-19-4-2-3-5-20(19)16-22/h2-9,16-17H,10-15H2,1H3,(H,27,31)(H,28,32)/p+1