(1S,6S)-6-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C19H25N3O5S/c1-21-10-12-22(13-11-21)28(26,27)15-8-6-14(7-9-15)20-18(23)16-4-2-3-5-17(16)19(24)25/h2-3,6-9,16-17H,4-5,10-13H2,1H3,(H,20,23)(H,24,25)/t16-,17-/m0/s1