(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C19H25ClN2O5S MolecularWeight: 428.9302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCC3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCC3)Cl

InChI

InChI=1S/C19H25ClN2O5S/c20-16-8-7-15(19(24)27-14-18(23)21-9-5-6-10-21)13-17(16)28(25,26)22-11-3-1-2-4-12-22/h7-8,13H,1-6,9-12,14H2