ethyl 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-cyclopentyl-sulfamoyl]propanoate

Systemtic Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-cyclopentyl-sulfamoyl]propanoate Openeye Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-cyclopentyl-sulfamoyl]propanoate CAS Name: 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-cyclopentylsulfamoyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-cyclopentylsulfamoyl]propanoate Traditional Name: 3-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-cyclopentyl-sulfamoyl]propionic acid ethyl ester Formula: C27H33N5O5S MolecularWeight: 539.64642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCS(=O)(=O)N(C1CCCC1)C2=CC3=C(C=C2)N(C(=O)C(=N3)CC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCS(=O)(=O)N(C1CCCC1)C2=CC3=C(C=C2)N(C(=O)C(=N3)CC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C27H33N5O5S/c1-3-37-25(33)14-15-38(35,36)32(20-6-4-5-7-20)21-12-13-24-22(17-21)30-23(27(34)31(24)2)16-18-8-10-19(11-9-18)26(28)29/h8-13,17,20H,3-7,14-16H2,1-2H3,(H3,28,29)