4-methyl-N-(3-nitrophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: 4-methyl-N-(3-nitrophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-4-methyl-N-(3-nitrophenyl)benzamide CAS Name: 4-methyl-N-(3-nitrophenyl)-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-4-methyl-N-(3-nitrophenyl)benzamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-4-methyl-N-(3-nitrophenyl)benzamide Formula: C25H27N4O5S+ MolecularWeight: 495.57068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O5S/c1-19-10-11-21(25(30)26-22-8-5-9-23(17-22)29(31)32)16-24(19)35(33,34)28-14-12-27(13-15-28)18-20-6-3-2-4-7-20/h2-11,16-17H,12-15,18H2,1H3,(H,26,30)/p+1