2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonyl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonyl-pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[4-(4-amidinophenyl)phenoxy]methyl]-1-mesyl-pyrrolidin-3-yl]acetic acid Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(CC1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CS(=O)(=O)N1CC(CC1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

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