4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carboxamide Openeye Name: 4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carboxamide CAS Name: 4-(4-methoxy-3-nitrophenyl)sulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-methoxy-3-nitrophenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carboxamide Traditional Name: 4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carboxamide Formula: C18H28N5O7S+ MolecularWeight: 458.50922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O7S/c1-29-17-3-2-15(14-16(17)23(25)26)31(27,28)22-8-6-21(7-9-22)18(24)19-4-5-20-10-12-30-13-11-20/h2-3,14H,4-13H2,1H3,(H,19,24)/p+1