4-(3-carbamimidoylphenoxy)-N-[(4-methoxyphenyl)methyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: 4-(3-carbamimidoylphenoxy)-N-[(4-methoxyphenyl)methyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-4-(3-carbamimidoylphenoxy)-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-4-(3-carbamimidoylphenoxy)-N-[(4-methoxyphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-4-(3-carbamimidoylphenoxy)-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: 4-(3-amidinophenoxy)-1-besyl-N-p-anisyl-pyrrolidine-2-carboxamide Formula: C26H28N4O5S MolecularWeight: 508.58932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CC(CN2S(=O)(=O)C3=CC=CC=C3)OC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CC(CN2S(=O)(=O)C3=CC=CC=C3)OC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H28N4O5S/c1-34-20-12-10-18(11-13-20)16-29-26(31)24-15-22(35-21-7-5-6-19(14-21)25(27)28)17-30(24)36(32,33)23-8-3-2-4-9-23/h2-14,22,24H,15-17H2,1H3,(H3,27,28)(H,29,31)