4-butyl-2-methoxy-N1-methyl-6-(2-methylsulfinylphenyl)-5-piperidin-1-yl-naphthalene-1,3-dicarboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 4-butyl-2-methoxy-N1-methyl-6-(2-methylsulfinylphenyl)-5-piperidin-1-yl-naphthalene-1,3-dicarboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 4-butyl-2-methoxy-N1-methyl-6-(2-methylsulfinylphenyl)-5-(1-piperidyl)naphthalene-1,3-dicarboxamide citrate CAS Name: 4-butyl-2-methoxy-N1-methyl-6-(2-methylsulfinylphenyl)-5-(1-piperidinyl)naphthalene-1,3-dicarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 4-butyl-2-methoxy-1-N-methyl-6-(2-methylsulfinylphenyl)-5-piperidin-1-ylnaphthalene-1,3-dicarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 4-butyl-2-methoxy-N-methyl-6-(2-methylsulfinylphenyl)-5-piperidino-naphthalene-1,3-dicarboxamide citrate Formula: C36H42N3O11S-3 MolecularWeight: 724.79718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=C1C(=C(C=C2)C3=CC=CC=C3S(=O)C)N4CCCCC4)C(=O)NC)OC)C(=O)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCC1=C(C(=C(C2=C1C(=C(C=C2)C3=CC=CC=C3S(=O)C)N4CCCCC4)C(=O)NC)OC)C(=O)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C30H37N3O4S.C6H8O7/c1-5-6-12-21-24-22(26(30(35)32-2)28(37-3)25(21)29(31)34)16-15-20(27(24)33-17-10-7-11-18-33)19-13-8-9-14-23(19)38(4)36;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,13-16H,5-7,10-12,17-18H2,1-4H3,(H2,31,34)(H,32,35);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3