N-[4-(4-azanyl-2-methylsulfinyl-phenyl)-4-piperidin-1-yl-butyl]-3-cyano-2-methoxy-N-methyl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-[4-(4-azanyl-2-methylsulfinyl-phenyl)-4-piperidin-1-yl-butyl]-3-cyano-2-methoxy-N-methyl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: N-[4-(4-amino-2-methylsulfinyl-phenyl)-4-(1-piperidyl)butyl]-3-cyano-2-methoxy-N-methyl-naphthalene-1-carboxamide; citric acid CAS Name: N-[4-(4-amino-2-methylsulfinylphenyl)-4-(1-piperidinyl)butyl]-3-cyano-2-methoxy-N-methyl-1-naphthalenecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N-[4-(4-amino-2-methylsulfinylphenyl)-4-piperidin-1-ylbutyl]-3-cyano-2-methoxy-N-methylnaphthalene-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: N-[4-(4-amino-2-methylsulfinyl-phenyl)-4-piperidino-butyl]-3-cyano-2-methoxy-N-methyl-1-naphthamide; citric acid Formula: C36H44N4O10S MolecularWeight: 724.82036

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(C1=C(C=C(C=C1)N)S(=O)C)N2CCCCC2)C(=O)C3=C(C(=CC4=CC=CC=C43)C#N)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN(CCCC(C1=C(C=C(C=C1)N)S(=O)C)N2CCCCC2)C(=O)C3=C(C(=CC4=CC=CC=C43)C#N)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C30H36N4O3S.C6H8O7/c1-33(30(35)28-24-11-6-5-10-21(24)18-22(20-31)29(28)37-2)15-9-12-26(34-16-7-4-8-17-34)25-14-13-23(32)19-27(25)38(3)36;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6,10-11,13-14,18-19,26H,4,7-9,12,15-17,32H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)