1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-4-[4-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-4-[4-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-4-[4-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-4-[4-(2-sulfamoylphenyl)phenyl]-3-pyrrolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-N-ethyl-4-[4-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide Traditional Name: 1-(3-amidinobenzyl)-N-ethyl-4-[4-(2-sulfamoylphenyl)phenyl]pyrrole-3-carboxamide Formula: C27H27N5O3S MolecularWeight: 501.59998

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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

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

InChI

InChI=1S/C27H27N5O3S/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/h3-14,16-17H,2,15H2,1H3,(H3,28,29)(H,31,33)(H2,30,34,35)