methyl 2-[3-oxidanylidene-4-[(phenylmethyl)sulfonylamino]-4,5-dihydro-1H-2-benzazepin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-4-[(phenylmethyl)sulfonylamino]-4,5-dihydro-1H-2-benzazepin-2-yl]ethanoate Openeye Name: methyl 2-[4-(benzylsulfonylamino)-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetate CAS Name: 2-[3-oxo-4-[(phenylmethyl)sulfonylamino]-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(benzylsulfonylamino)-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetate Traditional Name: 2-[4-(benzylsulfonylamino)-3-keto-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CC2=CC=CC=C2CC(C1=O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1CC2=CC=CC=C2CC(C1=O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5S/c1-27-19(23)13-22-12-17-10-6-5-9-16(17)11-18(20(22)24)21-28(25,26)14-15-7-3-2-4-8-15/h2-10,18,21H,11-14H2,1H3