[6-[ethoxycarbonyl(phenyl)amino]hexylamino]-phenyl-methanesulfonic acid

Systemtic Name: [6-[ethoxycarbonyl(phenyl)amino]hexylamino]-phenyl-methanesulfonic acid Openeye Name: [6-(N-ethoxycarbonylanilino)hexylamino]-phenyl-methanesulfonic acid CAS Name: [6-(N-ethoxycarbonylanilino)hexylamino]-phenylmethanesulfonic acid IUPAC Name: [6-(N-ethoxycarbonylanilino)hexylamino]-phenylmethanesulfonic acid Traditional Name: [6-(N-carbethoxyanilino)hexylamino]-phenyl-methanesulfonic acid Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CCCCCCNC(C1=CC=CC=C1)S(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N(CCCCCCNC(C1=CC=CC=C1)S(=O)(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C22H30N2O5S/c1-2-29-22(25)24(20-15-9-6-10-16-20)18-12-4-3-11-17-23-21(30(26,27)28)19-13-7-5-8-14-19/h5-10,13-16,21,23H,2-4,11-12,17-18H2,1H3,(H,26,27,28)