4-[4-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-piperazin-4-iumyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]piperazin-4-ium-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C15H26N5O4S+ MolecularWeight: 372.46304

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+]1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+]1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C

InChI

InChI=1S/C15H25N5O4S/c1-4-17-15(22)11(2)19-5-7-20(8-6-19)25(23,24)12-9-13(14(16)21)18(3)10-12/h9-11H,4-8H2,1-3H3,(H2,16,21)(H,17,22)/p+1/t11-/m0/s1