4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-chloranyl-6-methyl-phenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-chloranyl-6-methyl-phenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-chloro-6-methyl-benzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(2-chloro-6-methylphenyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-chloro-6-methylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-chloro-6-methyl-benzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C28H25ClN2O6S MolecularWeight: 553.0259

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=C(C=CC=C4Cl)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=C(C=CC=C4Cl)C

InChI

InChI=1S/C28H25ClN2O6S/c1-3-4-16-37-21-12-14-22(15-13-21)38(35,36)31-17-20-9-5-6-11-24(20)30(18-25(31)28(33)34)27(32)26-19(2)8-7-10-23(26)29/h5-15,25H,16-18H2,1-2H3,(H,33,34)