N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-methyl-2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]ethanesulfonamide CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-methyl-2-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]ethanesulfonamide IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide Traditional Name: citric acid; N-methyl-2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]ethanesulfonamide Formula: C23H33N3O9S MolecularWeight: 527.58782

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C17H25N3O2S.C6H8O7/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-4,11-12,14,18-19H,5-10H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)