sodium 3-[hexyl-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]amino]propane-1-sulfonate

Systemtic Name: sodium 3-[hexyl-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]amino]propane-1-sulfonate Openeye Name: sodium 3-[N-hexyl-4-[(E)-2-(4-pyridyl)vinyl]anilino]propane-1-sulfonate CAS Name: sodium 3-[N-hexyl-4-[(E)-2-pyridin-4-ylethenyl]anilino]-1-propanesulfonate IUPAC Name: sodium 3-[N-hexyl-4-[(E)-2-pyridin-4-ylethenyl]anilino]propane-1-sulfonate Traditional Name: sodium 3-[N-hexyl-4-[(E)-2-(4-pyridyl)vinyl]anilino]propane-1-sulfonate Formula: C22H29N2NaO3S MolecularWeight: 424.53203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCS(=O)(=O)[O-])C1=CC=C(C=C1)C=CC2=CC=NC=C2.[Na+]

Isomeric SMILES

CCCCCCN(CCCS(=O)(=O)[O-])C1=CC=C(C=C1)/C=C/C2=CC=NC=C2.[Na+]

InChI

InChI=1S/C22H30N2O3S.Na/c1-2-3-4-5-17-24(18-6-19-28(25,26)27)22-11-9-20(10-12-22)7-8-21-13-15-23-16-14-21;/h7-16H,2-6,17-19H2,1H3,(H,25,26,27);/q;+1/p-1/b8-7+;