4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(2-methoxyethanoyl)-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(2-methoxyethanoyl)-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-(2-methoxyacetyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(2-methoxy-1-oxoethyl)-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-(2-methoxyacetyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-(2-methoxyacetyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C25H28N2O8S MolecularWeight: 516.56342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OCC#CCOC)C(=O)O)C(=O)COC

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OCC#CCOC)C(=O)O)C(=O)COC

InChI

InChI=1S/C25H28N2O8S/c1-18-6-11-22-19(14-18)15-27(23(25(29)30)16-26(22)24(28)17-34-3)36(31,32)21-9-7-20(8-10-21)35-13-5-4-12-33-2/h6-11,14,23H,12-13,15-17H2,1-3H3,(H,29,30)