4-[methyl-[4-[(Z)-C-methyl-N-(pyridin-4-ylcarbonylamino)carbonimidoyl]phenyl]sulfonyl-amino]butanoate

Systemtic Name: 4-[methyl-[4-[(Z)-C-methyl-N-(pyridin-4-ylcarbonylamino)carbonimidoyl]phenyl]sulfonyl-amino]butanoate Openeye Name: 4-[methyl-[4-[(Z)-C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]phenyl]sulfonyl-amino]butanoate CAS Name: 4-[methyl-[4-[(1Z)-1-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]ethyl]phenyl]sulfonylamino]butanoate IUPAC Name: 4-[methyl-[4-[(Z)-C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]phenyl]sulfonylamino]butanoate Traditional Name: 4-[[4-[(Z)-N-isonicotinamido-C-methyl-carbonimidoyl]phenyl]sulfonyl-methyl-amino]butyrate Formula: C19H21N4O5S- MolecularWeight: 417.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)S(=O)(=O)N(C)CCCC(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=O)C1=CC=NC=C1)/C2=CC=C(C=C2)S(=O)(=O)N(C)CCCC(=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-14(21-22-19(26)16-9-11-20-12-10-16)15-5-7-17(8-6-15)29(27,28)23(2)13-3-4-18(24)25/h5-12H,3-4,13H2,1-2H3,(H,22,26)(H,24,25)/p-1/b21-14-