methyl 1-[(E)-but-2-enyl]-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-[(E)-but-2-enyl]-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-[(E)-but-2-enyl]-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(E)-but-2-enyl]-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-but-2-enyl]-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-[(E)-but-2-enyl]-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1CC(N(CC2=C1C=CC(=C2)C)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

C/C=C/CN1CC(N(CC2=C1C=CC(=C2)C)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C23H28N2O5S/c1-5-6-13-24-16-22(23(26)30-4)25(15-18-14-17(2)7-12-21(18)24)31(27,28)20-10-8-19(29-3)9-11-20/h5-12,14,22H,13,15-16H2,1-4H3/b6-5+