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

Systemtic Name: methyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonyl-pyrrolidin-3-yl]ethanoate Openeye Name: methyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonyl-pyrrolidin-3-yl]acetate CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonyl-3-pyrrolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methylsulfonylpyrrolidin-3-yl]acetate Traditional Name: 2-[5-[[4-(4-amidinophenyl)phenoxy]methyl]-1-mesyl-pyrrolidin-3-yl]acetic acid methyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC(N(C1)S(=O)(=O)C)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC1CC(N(C1)S(=O)(=O)C)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H27N3O5S/c1-29-21(26)12-15-11-19(25(13-15)31(2,27)28)14-30-20-9-7-17(8-10-20)16-3-5-18(6-4-16)22(23)24/h3-10,15,19H,11-14H2,1-2H3,(H3,23,24)