methyl 4-(4-hydroxyphenyl)sulfonyl-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-hydroxyphenyl)sulfonyl-1-(1-oxo-3-phenylpropyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-hydrocinnamoyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O6S/c1-34-26(31)24-18-27(25(30)16-11-19-7-3-2-4-8-19)23-10-6-5-9-20(23)17-28(24)35(32,33)22-14-12-21(29)13-15-22/h2-10,12-15,24,29H,11,16-18H2,1H3