4-[methyl-[4-[(Z)-C-methyl-N-(1H-pyrrol-2-ylcarbonylamino)carbonimidoyl]phenyl]sulfonyl-amino]butanoate

Systemtic Name: 4-[methyl-[4-[(Z)-C-methyl-N-(1H-pyrrol-2-ylcarbonylamino)carbonimidoyl]phenyl]sulfonyl-amino]butanoate Openeye Name: 4-[methyl-[4-[(Z)-C-methyl-N-(1H-pyrrole-2-carbonylamino)carbonimidoyl]phenyl]sulfonyl-amino]butanoate CAS Name: 4-[methyl-[4-[(1Z)-1-[[oxo(1H-pyrrol-2-yl)methyl]hydrazinylidene]ethyl]phenyl]sulfonylamino]butanoate IUPAC Name: 4-[methyl-[4-[(Z)-C-methyl-N-(1H-pyrrole-2-carbonylamino)carbonimidoyl]phenyl]sulfonylamino]butanoate Traditional Name: 4-[methyl-[4-[(Z)-C-methyl-N-(1H-pyrrole-2-carbonylamino)carbonimidoyl]phenyl]sulfonyl-amino]butyrate Formula: C18H21N4O5S- MolecularWeight: 405.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CN1)C2=CC=C(C=C2)S(=O)(=O)N(C)CCCC(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=O)C1=CC=CN1)/C2=CC=C(C=C2)S(=O)(=O)N(C)CCCC(=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-13(20-21-18(25)16-5-3-11-19-16)14-7-9-15(10-8-14)28(26,27)22(2)12-4-6-17(23)24/h3,5,7-11,19H,4,6,12H2,1-2H3,(H,21,25)(H,23,24)/p-1/b20-13-