4-[4-(4-ethoxybut-2-ynoxy)phenyl]sulfonyl-1-(2-ethoxyethanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

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

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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)O)C(=O)COCC

Isomeric SMILES

CCOCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)COCC

InChI

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