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

Systemtic Name: 5-butyl-3-cyano-2-ethyl-4-methoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-piperidin-1-yl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 5-butyl-3-cyano-2-ethyl-4-methoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-(1-piperidyl)naphthalene-1-carboxamide citrate CAS Name: 5-butyl-3-cyano-2-ethyl-4-methoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-(1-piperidinyl)-1-naphthalenecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 5-butyl-3-cyano-2-ethyl-4-methoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-piperidin-1-ylnaphthalene-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 5-butyl-3-cyano-2-ethyl-4-methoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-piperidino-1-naphthamide citrate Formula: C38H44N3O10S-3 MolecularWeight: 734.83506

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H39N3O3S.C6H8O7/c1-6-8-14-23-28-25(29(32(36)34-3)21(7-2)26(20-33)31(28)38-4)19-24(30(23)35-17-12-9-13-18-35)22-15-10-11-16-27(22)39(5)37;7-3(8)1-6(13,5(11)12)2-4(9)10/h10-11,15-16,19H,6-9,12-14,17-18H2,1-5H3,(H,34,36);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3