(2-oxidanylidene-1,2-diphenyl-ethyl) 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid desyl ester Formula: C30H24ClNO5S MolecularWeight: 546.03326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5)Cl

InChI

InChI=1S/C30H24ClNO5S/c31-26-16-15-24(19-27(26)38(35,36)32-18-17-21-9-7-8-14-25(21)20-32)30(34)37-29(23-12-5-2-6-13-23)28(33)22-10-3-1-4-11-22/h1-16,19,29H,17-18,20H2