4-butyl-N1-ethyl-2-methoxy-6-(2-methylsulfinylphenyl)-5-piperidin-1-yl-naphthalene-1,3-dicarboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 4-butyl-N1-ethyl-2-methoxy-6-(2-methylsulfinylphenyl)-5-piperidin-1-yl-naphthalene-1,3-dicarboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 4-butyl-N1-ethyl-2-methoxy-6-(2-methylsulfinylphenyl)-5-(1-piperidyl)naphthalene-1,3-dicarboxamide citrate CAS Name: 4-butyl-N1-ethyl-2-methoxy-6-(2-methylsulfinylphenyl)-5-(1-piperidinyl)naphthalene-1,3-dicarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 4-butyl-1-N-ethyl-2-methoxy-6-(2-methylsulfinylphenyl)-5-piperidin-1-ylnaphthalene-1,3-dicarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 4-butyl-N-ethyl-2-methoxy-6-(2-methylsulfinylphenyl)-5-piperidino-naphthalene-1,3-dicarboxamide citrate Formula: C37H44N3O11S-3 MolecularWeight: 738.82376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=C1C(=C(C=C2)C3=CC=CC=C3S(=O)C)N4CCCCC4)C(=O)NCC)OC)C(=O)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCC1=C(C(=C(C2=C1C(=C(C=C2)C3=CC=CC=C3S(=O)C)N4CCCCC4)C(=O)NCC)OC)C(=O)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C31H39N3O4S.C6H8O7/c1-5-7-13-22-25-23(27(31(36)33-6-2)29(38-3)26(22)30(32)35)17-16-21(28(25)34-18-11-8-12-19-34)20-14-9-10-15-24(20)39(4)37;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-10,14-17H,5-8,11-13,18-19H2,1-4H3,(H2,32,35)(H,33,36);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3