methyl 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CCCS(=O)(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C21H26N2O7S2/c1-4-13-31(25,26)22-15-20(21(24)30-3)23(14-16-7-5-6-8-19(16)22)32(27,28)18-11-9-17(29-2)10-12-18/h5-12,20H,4,13-15H2,1-3H3