3-bromanyl-5-butyl-2,4-dimethoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-piperidin-1-yl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 3-bromanyl-5-butyl-2,4-dimethoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-piperidin-1-yl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-bromo-5-butyl-2,4-dimethoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-(1-piperidyl)naphthalene-1-carboxamide citrate CAS Name: 3-bromo-5-butyl-2,4-dimethoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-(1-piperidinyl)-1-naphthalenecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-bromo-5-butyl-2,4-dimethoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-piperidin-1-ylnaphthalene-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-bromo-5-butyl-2,4-dimethoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-piperidino-1-naphthamide citrate Formula: C36H42BrN2O11S-3 MolecularWeight: 790.69448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CC(=C1N3CCCCC3)C4=CC=CC=C4S(=O)C)C(=C(C(=C2OC)Br)OC)C(=O)NC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCC1=C2C(=CC(=C1N3CCCCC3)C4=CC=CC=C4S(=O)C)C(=C(C(=C2OC)Br)OC)C(=O)NC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C30H37BrN2O4S.C6H8O7/c1-6-7-13-20-24-22(25(30(34)32-2)29(37-4)26(31)28(24)36-3)18-21(27(20)33-16-11-8-12-17-33)19-14-9-10-15-23(19)38(5)35;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-10,14-15,18H,6-8,11-13,16-17H2,1-5H3,(H,32,34);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3