methyl 1-[2-[3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-methyl-phenoxy]sulfonylphenyl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-[3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-methyl-phenoxy]sulfonylphenyl]sulfonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-[3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methyl-phenoxy]sulfonylphenyl]sulfonylpyrrolidine-2-carboxylate CAS Name: 1-[2-[3-[(2-carbamimidoyl-5-oxazinanyl)methoxy]-5-methylphenoxy]sulfonylphenyl]sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methylphenoxy]sulfonylphenyl]sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[2-[3-[(2-amidinooxazinan-5-yl)methoxy]-5-methyl-phenoxy]sulfonylphenyl]sulfonylpyrrolidine-2-carboxylic acid methyl ester Formula: C25H32N4O9S2 MolecularWeight: 596.67298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCCC3C(=O)OC)OCC4CCN(OC4)C(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCCC3C(=O)OC)OCC4CCN(OC4)C(=N)N

InChI

InChI=1S/C25H32N4O9S2/c1-17-12-19(36-15-18-9-11-28(25(26)27)37-16-18)14-20(13-17)38-40(33,34)23-8-4-3-7-22(23)39(31,32)29-10-5-6-21(29)24(30)35-2/h3-4,7-8,12-14,18,21H,5-6,9-11,15-16H2,1-2H3,(H3,26,27)