1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-keto-pyrrolidine-3-carboxylic acid Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CC(CC3=O)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CC(CC3=O)C(=O)O

InChI

InChI=1S/C17H22N2O5S/c20-16-11-13(17(21)22)12-19(16)14-5-7-15(8-6-14)25(23,24)18-9-3-1-2-4-10-18/h5-8,13H,1-4,9-12H2,(H,21,22)