1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-4-[4-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-4-[4-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-4-[4-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-4-[4-(2-sulfamoylphenyl)phenyl]-3-pyrrolecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-4-[4-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 1-(3-amidinobenzyl)-N-ethyl-4-[4-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide; 2,2,2-trifluoroacetic acid Formula: C29H28F3N5O5S MolecularWeight: 615.62333

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN(C=C1C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)CC4=CC=CC(=C4)C(=N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCNC(=O)C1=CN(C=C1C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)CC4=CC=CC(=C4)C(=N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C27H27N5O3S.C2HF3O2/c1-2-31-27(33)24-17-32(15-18-6-5-7-21(14-18)26(28)29)16-23(24)20-12-10-19(11-13-20)22-8-3-4-9-25(22)36(30,34)35;3-2(4,5)1(6)7/h3-14,16-17H,2,15H2,1H3,(H3,28,29)(H,31,33)(H2,30,34,35);(H,6,7)