phenanthridin-6-ylmethyl 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]ethanoate

Systemtic Name: phenanthridin-6-ylmethyl 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]ethanoate Openeye Name: phenanthridin-6-ylmethyl 2-[[(E)-2-(p-tolyl)vinyl]sulfonylamino]acetate CAS Name: 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate Traditional Name: 2-[[(E)-2-(p-tolyl)vinyl]sulfonylamino]acetic acid phenanthridin-6-ylmethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CS(=O)(=O)NCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C25H22N2O4S/c1-18-10-12-19(13-11-18)14-15-32(29,30)26-16-25(28)31-17-24-22-8-3-2-6-20(22)21-7-4-5-9-23(21)27-24/h2-15,26H,16-17H2,1H3/b15-14+