4-(4-but-2-ynoxyphenyl)sulfonyl-1-[2-(dimethylamino)ethanoyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[2-(dimethylamino)ethanoyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[2-(dimethylamino)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[2-(dimethylamino)-1-oxoethyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[2-(dimethylamino)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[2-(dimethylamino)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C24H27N3O6S MolecularWeight: 485.55268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O6S/c1-4-5-14-33-19-10-12-20(13-11-19)34(31,32)27-15-18-8-6-7-9-21(18)26(16-22(27)24(29)30)23(28)17-25(2)3/h6-13,22H,14-17H2,1-3H3,(H,29,30)