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

Systemtic Name: methyl 1-(2-butoxyethanoyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(2-butoxyacetyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-(2-butoxy-1-oxoethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2-butoxyacetyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2-butoxyacetyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C27H32N2O7S MolecularWeight: 528.61718

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O7S/c1-4-6-16-35-20-26(30)28-19-25(27(31)34-3)29(18-21-10-8-9-11-24(21)28)37(32,33)23-14-12-22(13-15-23)36-17-7-5-2/h8-15,25H,4,6,16-20H2,1-3H3