phenanthridin-6-ylmethyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: phenanthridin-6-ylmethyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: phenanthridin-6-ylmethyl (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid phenanthridin-6-ylmethyl ester Formula: C28H26N2O6S MolecularWeight: 518.58084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)S(=O)(=O)N5CCOCC5

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C28H26N2O6S/c1-34-26-12-10-20(18-27(26)37(32,33)30-14-16-35-17-15-30)11-13-28(31)36-19-25-23-8-3-2-6-21(23)22-7-4-5-9-24(22)29-25/h2-13,18H,14-17,19H2,1H3/b13-11+