4-methylsulfonyl-3-(phenylmethyl)-7-pyridin-4-yl-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: 4-methylsulfonyl-3-(phenylmethyl)-7-pyridin-4-yl-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 3-benzyl-4-methylsulfonyl-7-(4-pyridyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 4-methylsulfonyl-3-(phenylmethyl)-7-pyridin-4-yl-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 3-benzyl-4-methylsulfonyl-7-pyridin-4-yl-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 3-benzyl-4-mesyl-7-(4-pyridyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)C3=CC=NC=C3)NCC1CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)C3=CC=NC=C3)NCC1CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c1-28(26,27)25-16-20-14-19(18-9-11-23-12-10-18)7-8-22(20)24-15-21(25)13-17-5-3-2-4-6-17/h2-12,14,21,24H,13,15-16H2,1H3