phenanthridin-6-ylmethyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: phenanthridin-6-ylmethyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: phenanthridin-6-ylmethyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid phenanthridin-6-ylmethyl ester Formula: C26H24N2O5S MolecularWeight: 476.54416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)S(=O)(=O)N5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C26H24N2O5S/c1-32-24-13-12-18(16-25(24)34(30,31)28-14-6-7-15-28)26(29)33-17-23-21-10-3-2-8-19(21)20-9-4-5-11-22(20)27-23/h2-5,8-13,16H,6-7,14-15,17H2,1H3