(2S)-N-(7-methyl-6-oxidanylidene-7H-benzo[d][1]benzazepin-5-yl)-2-(octylsulfonylamino)propanamide

Systemtic Name: (2S)-N-(7-methyl-6-oxidanylidene-7H-benzo[d][1]benzazepin-5-yl)-2-(octylsulfonylamino)propanamide Openeye Name: (2S)-N-(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)-2-(octylsulfonylamino)propanamide CAS Name: (2S)-N-(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)-2-(octylsulfonylamino)propanamide IUPAC Name: (2S)-N-(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)-2-(octylsulfonylamino)propanamide Traditional Name: (2S)-N-(6-keto-7-methyl-7H-benzo[d][1]benzazepin-5-yl)-2-(octylsulfonylamino)propionamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC(C)C(=O)NN1C2=CC=CC=C2C3=CC=CC=C3C(C1=O)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)N[C@@H](C)C(=O)NN1C2=CC=CC=C2C3=CC=CC=C3C(C1=O)C

InChI

InChI=1S/C26H35N3O4S/c1-4-5-6-7-8-13-18-34(32,33)28-20(3)25(30)27-29-24-17-12-11-16-23(24)22-15-10-9-14-21(22)19(2)26(29)31/h9-12,14-17,19-20,28H,4-8,13,18H2,1-3H3,(H,27,30)/t19?,20-/m0/s1