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

Systemtic Name: 3-butyl-2-chloranyl-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidin-1-yl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-butyl-2-chloro-N-methyl-5-(2-methylsulfinylphenyl)-4-(1-piperidyl)naphthalene-1-carboxamide citrate CAS Name: 3-butyl-2-chloro-N-methyl-5-(2-methylsulfinylphenyl)-4-(1-piperidinyl)-1-naphthalenecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-butyl-2-chloro-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidin-1-ylnaphthalene-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-butyl-2-chloro-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidino-1-naphthamide citrate Formula: C34H38ClN2O9S-3 MolecularWeight: 686.19152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC=C2C3=CC=CC=C3S(=O)C)C(=C1Cl)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(=C1Cl)C(=O)NC)N4CCCCC4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C28H33ClN2O2S.C6H8O7/c1-4-5-12-22-26(29)25(28(32)30-2)21-15-11-14-20(19-13-7-8-16-23(19)34(3)33)24(21)27(22)31-17-9-6-10-18-31;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-8,11,13-16H,4-6,9-10,12,17-18H2,1-3H3,(H,30,32);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3