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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-nitro-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-3-nitro-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-nitrobenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-3-nitro-benzamide Formula: C23H30N5O6S+ MolecularWeight: 504.5792

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O6S/c1-2-25-8-10-26(11-9-25)22-7-6-20(35(32,33)27-12-14-34-15-13-27)17-21(22)24-23(29)18-4-3-5-19(16-18)28(30)31/h3-7,16-17H,2,8-15H2,1H3,(H,24,29)/p+1