(2S)-1-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]pyrrolidine-2-carboxylate Formula: C18H23N2O5S- MolecularWeight: 379.45062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC3C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C18H24N2O5S/c21-17(20-12-6-9-16(20)18(22)23)14-7-5-8-15(13-14)26(24,25)19-10-3-1-2-4-11-19/h5,7-8,13,16H,1-4,6,9-12H2,(H,22,23)/p-1/t16-/m0/s1