phenanthridin-6-ylmethyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: phenanthridin-6-ylmethyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: phenanthridin-6-ylmethyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid phenanthridin-6-ylmethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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