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

Systemtic Name: 4-(3-carbamimidoylphenoxy)-N-[(4-methoxyphenyl)methyl]-1-methylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: 4-(3-carbamimidoylphenoxy)-N-[(4-methoxyphenyl)methyl]-1-methylsulfonyl-pyrrolidine-2-carboxamide CAS Name: 4-(3-carbamimidoylphenoxy)-N-[(4-methoxyphenyl)methyl]-1-methylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: 4-(3-carbamimidoylphenoxy)-N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide Traditional Name: 4-(3-amidinophenoxy)-1-mesyl-N-p-anisyl-pyrrolidine-2-carboxamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CC(CN2S(=O)(=O)C)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CC(CN2S(=O)(=O)C)OC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H26N4O5S/c1-29-16-8-6-14(7-9-16)12-24-21(26)19-11-18(13-25(19)31(2,27)28)30-17-5-3-4-15(10-17)20(22)23/h3-10,18-19H,11-13H2,1-2H3,(H3,22,23)(H,24,26)