(3S)-2-[2,5-bis(chloranyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-[2,5-bis(chloranyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(2,5-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-(2,5-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(2,5-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(2,5-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(=C3)Cl)Cl)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2NO4S/c17-12-5-6-13(18)15(8-12)24(22,23)19-9-11-4-2-1-3-10(11)7-14(19)16(20)21/h1-6,8,14H,7,9H2,(H,20,21)/p-1/t14-/m0/s1