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

Systemtic Name: ethyl 1-[2-[3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-methyl-phenoxy]sulfonylphenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methyl-phenoxy]sulfonylphenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[2-[3-[(2-carbamimidoyl-5-oxazinanyl)methoxy]-5-methylphenoxy]sulfonylphenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methylphenoxy]sulfonylphenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[2-[3-[(2-amidinooxazinan-5-yl)methoxy]-5-methyl-phenoxy]sulfonylphenyl]sulfonylnipecotic acid ethyl ester Formula: C27H36N4O9S2 MolecularWeight: 624.72614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2S(=O)(=O)OC3=CC(=CC(=C3)OCC4CCN(OC4)C(=N)N)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2S(=O)(=O)OC3=CC(=CC(=C3)OCC4CCN(OC4)C(=N)N)C

InChI

InChI=1S/C27H36N4O9S2/c1-3-37-26(32)21-7-6-11-30(16-21)41(33,34)24-8-4-5-9-25(24)42(35,36)40-23-14-19(2)13-22(15-23)38-17-20-10-12-31(27(28)29)39-18-20/h4-5,8-9,13-15,20-21H,3,6-7,10-12,16-18H2,1-2H3,(H3,28,29)