phenanthridin-6-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: phenanthridin-6-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: phenanthridin-6-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid phenanthridin-6-ylmethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C25H22N2O4S/c28-25(18-11-13-19(14-12-18)32(29,30)27-15-5-6-16-27)31-17-24-22-9-2-1-7-20(22)21-8-3-4-10-23(21)26-24/h1-4,7-14H,5-6,15-17H2