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

Systemtic Name: 4-ethyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-ethyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-morpholinosulfonyl-benzamide CAS Name: 4-ethyl-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-ethyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-ethyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-morpholinosulfonyl-benzamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CC[NH+](CC3)CC)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CC[NH+](CC3)CC)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H34N4O4S/c1-3-20-9-10-21(19-24(20)34(31,32)29-15-17-33-18-16-29)25(30)26-22-7-5-6-8-23(22)28-13-11-27(4-2)12-14-28/h5-10,19H,3-4,11-18H2,1-2H3,(H,26,30)/p+1