2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonyl-pyrrolidin-2-yl]ethanoic acid

Systemtic Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonyl-pyrrolidin-2-yl]ethanoic acid Openeye Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonyl-pyrrolidin-2-yl]acetic acid CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonyl-2-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonylpyrrolidin-2-yl]acetic acid Traditional Name: 2-[5-[[4-(4-amidinophenyl)phenoxy]methyl]-1-mesyl-pyrrolidin-2-yl]acetic acid Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(CCC1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CS(=O)(=O)N1C(CCC1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C21H25N3O5S/c1-30(27,28)24-17(12-20(25)26)8-9-18(24)13-29-19-10-6-15(7-11-19)14-2-4-16(5-3-14)21(22)23/h2-7,10-11,17-18H,8-9,12-13H2,1H3,(H3,22,23)(H,25,26)