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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: 1-[4-(azepan-1-ylsulfonyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(azepan-1-ylsulfonyl)benzoyl]isonipecotate 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)N3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C19H26N2O5S/c22-18(20-13-9-16(10-14-20)19(23)24)15-5-7-17(8-6-15)27(25,26)21-11-3-1-2-4-12-21/h5-8,16H,1-4,9-14H2,(H,23,24)/p-1