(2R)-1-[4-(azepan-1-ylsulfonyl)phenyl]carbonylpiperidine-2-carboxylate

Systemtic Name: (2R)-1-[4-(azepan-1-ylsulfonyl)phenyl]carbonylpiperidine-2-carboxylate Openeye Name: (2R)-1-[4-(azepan-1-ylsulfonyl)benzoyl]piperidine-2-carboxylate CAS Name: (2R)-1-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]-2-piperidinecarboxylate IUPAC Name: (2R)-1-[4-(azepan-1-ylsulfonyl)benzoyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[4-(azepan-1-ylsulfonyl)benzoyl]pipecolinate Formula: C19H25N2O5S- MolecularWeight: 393.4772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCCC3C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5S/c22-18(21-14-6-3-7-17(21)19(23)24)15-8-10-16(11-9-15)27(25,26)20-12-4-1-2-5-13-20/h8-11,17H,1-7,12-14H2,(H,23,24)/p-1/t17-/m1/s1