3-[2-oxidanylidene-8-[1-(phenylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanylidene-8-[1-(phenylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-(1-besyl-3,6-dihydro-2H-pyridin-4-yl)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC=C1C2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O3S/c28-18-19-5-4-6-22(15-19)25-17-27(32)30-26-16-21(9-10-24(26)29-25)20-11-13-31(14-12-20)35(33,34)23-7-2-1-3-8-23/h1-11,15-16H,12-14,17H2,(H,30,32)