ethanedioic acid; N-methyl-2-[3-[2-(prop-2-enylamino)ethyl]-1H-indol-5-yl]ethanesulfonamide

Systemtic Name: ethanedioic acid; N-methyl-2-[3-[2-(prop-2-enylamino)ethyl]-1H-indol-5-yl]ethanesulfonamide Openeye Name: 2-[3-[2-(allylamino)ethyl]-1H-indol-5-yl]-N-methyl-ethanesulfonamide; oxalic acid CAS Name: N-methyl-2-[3-[2-(prop-2-enylamino)ethyl]-1H-indol-5-yl]ethanesulfonamide; oxalic acid IUPAC Name: N-methyl-2-[3-[2-(prop-2-enylamino)ethyl]-1H-indol-5-yl]ethanesulfonamide; oxalic acid Traditional Name: 2-[3-[2-(allylamino)ethyl]-1H-indol-5-yl]-N-methyl-ethanesulfonamide; oxalic acid Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2CCNCC=C.C(=O)(C(=O)O)O

Isomeric SMILES

CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2CCNCC=C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N3O2S.C2H2O4/c1-3-8-18-9-6-14-12-19-16-5-4-13(11-15(14)16)7-10-22(20,21)17-2;3-1(4)2(5)6/h3-5,11-12,17-19H,1,6-10H2,2H3;(H,3,4)(H,5,6)