4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzenesulfonic acid

Systemtic Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzenesulfonic acid Openeye Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzenesulfonic acid CAS Name: 4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]benzenesulfonic acid IUPAC Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzenesulfonic acid Traditional Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]besylic acid Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C23H28N2O4S/c1-3-5-6-18(4-2)23(26)24-20-10-9-19-13-14-25(22(19)15-20)16-17-7-11-21(12-8-17)30(27,28)29/h7-15,18H,3-6,16H2,1-2H3,(H,24,26)(H,27,28,29)