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

Systemtic Name: 5-butyl-4-chloranyl-3-cyano-2-methoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-piperidin-1-yl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 5-butyl-4-chloro-3-cyano-2-methoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-(1-piperidyl)naphthalene-1-carboxamide citrate CAS Name: 5-butyl-4-chloro-3-cyano-2-methoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-(1-piperidinyl)-1-naphthalenecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 5-butyl-4-chloro-3-cyano-2-methoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-piperidin-1-ylnaphthalene-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 5-butyl-4-chloro-3-cyano-2-methoxy-N-methyl-7-(2-methylsulfinylphenyl)-6-piperidino-1-naphthamide citrate Formula: C36H39ClN3O10S-3 MolecularWeight: 741.22696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CC(=C1N3CCCCC3)C4=CC=CC=C4S(=O)C)C(=C(C(=C2Cl)C#N)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(=C2Cl)C#N)OC)C(=O)NC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C30H34ClN3O3S.C6H8O7/c1-5-6-12-20-25-22(26(30(35)33-2)29(37-3)23(18-32)27(25)31)17-21(28(20)34-15-10-7-11-16-34)19-13-8-9-14-24(19)38(4)36;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,13-14,17H,5-7,10-12,15-16H2,1-4H3,(H,33,35);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3