N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrole-3-carboxamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrole-3-carboxamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-1-(p-tolylsulfonyl)pyrrole-3-carboxamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-1-(4-methylphenyl)sulfonyl-3-pyrrolecarboxamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-1-tosyl-pyrrole-3-carboxamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)NCCC3COC4=C3C=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)NCCC3COC4=C3C=C(C=C4)C(=N)N

InChI

InChI=1S/C23H24N4O4S/c1-15-2-5-19(6-3-15)32(29,30)27-11-9-17(13-27)23(28)26-10-8-18-14-31-21-7-4-16(22(24)25)12-20(18)21/h2-7,9,11-13,18H,8,10,14H2,1H3,(H3,24,25)(H,26,28)