2-[(4-chlorophenyl)methyl]-3-oxidanyl-9-propan-2-ylsulfonyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-oxidanyl-9-propan-2-ylsulfonyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-9-isopropylsulfonyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-9-propan-2-ylsulfonyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-9-propan-2-ylsulfonyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-9-isopropylsulfonyl-8,10-dihydro-7H-1,9-phenanthroline-4-carboxylic acid; triethylamine Formula: C29H38ClN3O5S MolecularWeight: 576.14712

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC(C)S(=O)(=O)N1CCC2=C(C1)C3=NC(=C(C(=C3C=C2)C(=O)O)O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCN(CC)CC.CC(C)S(=O)(=O)N1CCC2=C(C1)C3=NC(=C(C(=C3C=C2)C(=O)O)O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN2O5S.C6H15N/c1-13(2)32(30,31)26-10-9-15-5-8-17-20(23(28)29)22(27)19(25-21(17)18(15)12-26)11-14-3-6-16(24)7-4-14;1-4-7(5-2)6-3/h3-8,13,27H,9-12H2,1-2H3,(H,28,29);4-6H2,1-3H3