[2-[(phenethylamino)methylidene]indol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(phenethylamino)methylidene]indol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-[(phenethylamino)methylene]indol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(phenethylamino)methylidene]-3-indolyl] ester IUPAC Name: [2-[(phenethylamino)methylidene]indol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(phenethylamino)methylene]indol-3-yl] ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC=CC3=NC2=CNCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC=CC3=NC2=CNCCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O3S/c1-18-11-13-20(14-12-18)30(27,28)29-24-21-9-5-6-10-22(21)26-23(24)17-25-16-15-19-7-3-2-4-8-19/h2-14,17,25H,15-16H2,1H3