3-butyl-2-methoxy-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidin-1-yl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 3-butyl-2-methoxy-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidin-1-yl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-butyl-2-methoxy-N-methyl-5-(2-methylsulfinylphenyl)-4-(1-piperidyl)naphthalene-1-carboxamide citrate CAS Name: 3-butyl-2-methoxy-N-methyl-5-(2-methylsulfinylphenyl)-4-(1-piperidinyl)-1-naphthalenecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-butyl-2-methoxy-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidin-1-ylnaphthalene-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-butyl-2-methoxy-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidino-1-naphthamide citrate Formula: C35H41N2O10S-3 MolecularWeight: 681.77244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC=C2C3=CC=CC=C3S(=O)C)C(=C1OC)C(=O)NC)N4CCCCC4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCC1=C(C2=C(C=CC=C2C3=CC=CC=C3S(=O)C)C(=C1OC)C(=O)NC)N4CCCCC4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C29H36N2O3S.C6H8O7/c1-5-6-13-23-27(31-18-10-7-11-19-31)25-21(20-14-8-9-17-24(20)35(4)33)15-12-16-22(25)26(28(23)34-3)29(32)30-2;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,12,14-17H,5-7,10-11,13,18-19H2,1-4H3,(H,30,32);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3