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

Systemtic Name: 3-butyl-2-ethoxy-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidin-1-yl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate; hydrate Openeye Name: 3-butyl-2-ethoxy-N-methyl-5-(2-methylsulfinylphenyl)-4-(1-piperidyl)naphthalene-1-carboxamide citrate hydrate CAS Name: 3-butyl-2-ethoxy-N-methyl-5-(2-methylsulfinylphenyl)-4-(1-piperidinyl)-1-naphthalenecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate; hydrate IUPAC Name: 3-butyl-2-ethoxy-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidin-1-ylnaphthalene-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylate; hydrate Traditional Name: 3-butyl-2-ethoxy-N-methyl-5-(2-methylsulfinylphenyl)-4-piperidino-1-naphthamide citrate hydrate Formula: C36H45N2O11S-3 MolecularWeight: 713.8143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC=C2C3=CC=CC=C3S(=O)C)C(=C1OCC)C(=O)NC)N4CCCCC4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O

Isomeric SMILES

CCCCC1=C(C2=C(C=CC=C2C3=CC=CC=C3S(=O)C)C(=C1OCC)C(=O)NC)N4CCCCC4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O

InChI

InChI=1S/C30H38N2O3S.C6H8O7.H2O/c1-5-7-14-24-28(32-19-11-8-12-20-32)26-22(21-15-9-10-18-25(21)36(4)34)16-13-17-23(26)27(30(33)31-3)29(24)35-6-2;7-3(8)1-6(13,5(11)12)2-4(9)10;/h9-10,13,15-18H,5-8,11-12,14,19-20H2,1-4H3,(H,31,33);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/p-3