1-(phenylcarbonyl)-4-(4-prop-1-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbonyl chloride

Systemtic Name: 1-(phenylcarbonyl)-4-(4-prop-1-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbonyl chloride Openeye Name: 1-benzoyl-4-(4-prop-1-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbonyl chloride CAS Name: 1-benzoyl-4-(4-prop-1-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbonyl chloride IUPAC Name: 1-benzoyl-4-(4-prop-1-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbonyl chloride Traditional Name: 1-benzoyl-4-(4-prop-1-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbonyl chloride Formula: C26H21ClN2O5S MolecularWeight: 508.97334

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Descriptors Computed from Structure

Canonical SMILES:

CC#COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC#COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H21ClN2O5S/c1-2-16-34-21-12-14-22(15-13-21)35(32,33)29-17-20-10-6-7-11-23(20)28(18-24(29)25(27)30)26(31)19-8-4-3-5-9-19/h3-15,24H,17-18H2,1H3