(3R)-2-[2,6-bis(chloranyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-[2,6-bis(chloranyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-(2,6-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(2,6-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-(2,6-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(2,6-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C16H12Cl2NO4S- MolecularWeight: 385.24178

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC=C3Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC=C3Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C16H13Cl2NO4S/c17-12-6-3-7-13(18)15(12)24(22,23)19-9-11-5-2-1-4-10(11)8-14(19)16(20)21/h1-7,14H,8-9H2,(H,20,21)/p-1/t14-/m1/s1