(3S)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(1-tosylisonipecotoyl)nipecotate Formula: C19H25N2O5S- MolecularWeight: 393.4772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC(C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@@H](C3)C(=O)[O-]

InChI

InChI=1S/C19H26N2O5S/c1-14-4-6-17(7-5-14)27(25,26)21-11-8-15(9-12-21)18(22)20-10-2-3-16(13-20)19(23)24/h4-7,15-16H,2-3,8-13H2,1H3,(H,23,24)/p-1/t16-/m0/s1