N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-methyl-2-nitro-benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-3-methyl-2-nitro-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-3-methyl-2-nitro-benzamide Formula: C25H34N5O5S+ MolecularWeight: 516.63296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=C(C(=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=C(C(=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H33N5O5S/c1-3-27-14-16-28(17-15-27)23-11-10-20(36(34,35)29-12-5-4-6-13-29)18-22(23)26-25(31)21-9-7-8-19(2)24(21)30(32)33/h7-11,18H,3-6,12-17H2,1-2H3,(H,26,31)/p+1