ethyl 2-[[azanyl-[(4-methylphenyl)sulfonylamino]methylidene]amino]-5-(1H-pyrrol-2-ylcarbonylamino)pentanoate

Systemtic Name: ethyl 2-[[azanyl-[(4-methylphenyl)sulfonylamino]methylidene]amino]-5-(1H-pyrrol-2-ylcarbonylamino)pentanoate Openeye Name: ethyl 2-[[amino-(p-tolylsulfonylamino)methylene]amino]-5-(1H-pyrrole-2-carbonylamino)pentanoate CAS Name: 2-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-5-[[oxo(1H-pyrrol-2-yl)methyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-5-(1H-pyrrole-2-carbonylamino)pentanoate Traditional Name: 2-[[amino-(tosylamino)methylene]amino]-5-(1H-pyrrole-2-carbonylamino)valeric acid ethyl ester Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCNC(=O)C1=CC=CN1)N=C(N)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(CCCNC(=O)C1=CC=CN1)N=C(N)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H27N5O5S/c1-3-30-19(27)17(7-5-13-23-18(26)16-6-4-12-22-16)24-20(21)25-31(28,29)15-10-8-14(2)9-11-15/h4,6,8-12,17,22H,3,5,7,13H2,1-2H3,(H,23,26)(H3,21,24,25)