(E)-but-2-enedioic acid; N-(2-butyl-1-methyl-indol-5-yl)methanesulfonamide

Systemtic Name: (E)-but-2-enedioic acid; N-(2-butyl-1-methyl-indol-5-yl)methanesulfonamide Openeye Name: N-(2-butyl-1-methyl-indol-5-yl)methanesulfonamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(2-butyl-1-methyl-5-indolyl)methanesulfonamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-butyl-1-methylindol-5-yl)methanesulfonamide Traditional Name: N-(2-butyl-1-methyl-indol-5-yl)methanesulfonamide; fumaric acid Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(N1C)C=CC(=C2)NS(=O)(=O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(N1C)C=CC(=C2)NS(=O)(=O)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H20N2O2S.C4H4O4/c1-4-5-6-13-10-11-9-12(15-19(3,17)18)7-8-14(11)16(13)2;5-3(6)1-2-4(7)8/h7-10,15H,4-6H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+