1-(4-methylthiophen-2-yl)carbonyl-4-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 1-(4-methylthiophen-2-yl)carbonyl-4-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-(4-methylthiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-[(4-methyl-2-thiophenyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-(4-methylthiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-1-(4-methylthiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C26H24N2O7S2 MolecularWeight: 540.60796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OCC#CCO)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OCC#CCO)C(=O)O

InChI

InChI=1S/C26H24N2O7S2/c1-18-14-24(36-17-18)25(30)27-16-23(26(31)32)28(15-19-6-2-3-7-22(19)27)37(33,34)21-10-8-20(9-11-21)35-13-5-4-12-29/h2-3,6-11,14,17,23,29H,12-13,15-16H2,1H3,(H,31,32)