(2-azanyl-2-oxidanylidene-ethyl) 2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC(=O)N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC(=O)N)C)C

InChI

InChI=1S/C22H26N2O5S/c1-13-9-14(2)16(4)21(15(13)3)30(27,28)24-11-18-8-6-5-7-17(18)10-19(24)22(26)29-12-20(23)25/h5-9,19H,10-12H2,1-4H3,(H2,23,25)