(2S)-1-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperidine-2-carboxylic acid

Systemtic Name: (2S)-1-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperidine-2-carboxylic acid Openeye Name: (2S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-2-carboxylic acid CAS Name: (2S)-1-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: (2S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]pipecolinic acid Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCC3C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC[C@H]3C(=O)O

InChI

InChI=1S/C19H26N2O5S/c22-18(21-13-6-3-10-17(21)19(23)24)15-8-7-9-16(14-15)27(25,26)20-11-4-1-2-5-12-20/h7-9,14,17H,1-6,10-13H2,(H,23,24)/t17-/m0/s1