ethanedioic acid; 2-[1-(phenylsulfonyl)indol-4-yl]ethanamine

Systemtic Name: ethanedioic acid; 2-[1-(phenylsulfonyl)indol-4-yl]ethanamine Openeye Name: 2-[1-(benzenesulfonyl)indol-4-yl]ethanamine; oxalic acid CAS Name: 2-[1-(benzenesulfonyl)-4-indolyl]ethanamine; oxalic acid IUPAC Name: 2-[1-(benzenesulfonyl)indol-4-yl]ethanamine; oxalic acid Traditional Name: 2-(1-besylindol-4-yl)ethylamine; oxalic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CC=C32)CCN.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CC=C32)CCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H16N2O2S.C2H2O4/c17-11-9-13-5-4-8-16-15(13)10-12-18(16)21(19,20)14-6-2-1-3-7-14;3-1(4)2(5)6/h1-8,10,12H,9,11,17H2;(H,3,4)(H,5,6)