4-butyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]cyclohexanecarboxamide Formula: C27H45N4O4S+ MolecularWeight: 521.7356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CC[NH+](CC4)CC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CC[NH+](CC4)CC

InChI

InChI=1S/C27H44N4O4S/c1-3-5-6-22-7-9-23(10-8-22)27(32)28-25-21-24(36(33,34)31-17-19-35-20-18-31)11-12-26(25)30-15-13-29(4-2)14-16-30/h11-12,21-23H,3-10,13-20H2,1-2H3,(H,28,32)/p+1