methyl 1-(2-ethoxyethanoyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-(2-ethoxyethanoyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(2-ethoxyacetyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-(2-ethoxy-1-oxoethyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2-ethoxyacetyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2-ethoxyacetyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C26H30N2O8S MolecularWeight: 530.59

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OCC#CCOC)C(=O)OC

Isomeric SMILES

CCOCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OCC#CCOC)C(=O)OC

InChI

InChI=1S/C26H30N2O8S/c1-4-35-19-25(29)27-18-24(26(30)34-3)28(17-20-9-5-6-10-23(20)27)37(31,32)22-13-11-21(12-14-22)36-16-8-7-15-33-2/h5-6,9-14,24H,4,15-19H2,1-3H3