1-(2-butoxyethanoyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 1-(2-butoxyethanoyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-(2-butoxyacetyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1-(2-butoxy-1-oxoethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-(2-butoxyacetyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-(2-butoxyacetyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C26H30N2O7S MolecularWeight: 514.5906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OCC#CC)C(=O)O

Isomeric SMILES

CCCCOCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OCC#CC)C(=O)O

InChI

InChI=1S/C26H30N2O7S/c1-3-5-15-34-19-25(29)27-18-24(26(30)31)28(17-20-9-7-8-10-23(20)27)36(32,33)22-13-11-21(12-14-22)35-16-6-4-2/h7-14,24H,3,5,15-19H2,1-2H3,(H,30,31)