methyl 1-(5-chloranylfuran-2-yl)carbonyl-4-[4-(4-ethoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-(5-chloranylfuran-2-yl)carbonyl-4-[4-(4-ethoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(5-chlorofuran-2-carbonyl)-4-[4-(4-ethoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(5-chloro-2-furanyl)-oxomethyl]-4-[4-(4-ethoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(5-chlorofuran-2-carbonyl)-4-[4-(4-ethoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(5-chloro-2-furoyl)-4-[4-(4-ethoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C28H27ClN2O8S MolecularWeight: 587.04058

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=CC=C(O4)Cl

Isomeric SMILES

CCOCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=CC=C(O4)Cl

InChI

InChI=1S/C28H27ClN2O8S/c1-3-37-16-6-7-17-38-21-10-12-22(13-11-21)40(34,35)31-18-20-8-4-5-9-23(20)30(19-24(31)28(33)36-2)27(32)25-14-15-26(29)39-25/h4-5,8-15,24H,3,16-19H2,1-2H3