4-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]butanoate

Systemtic Name: 4-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]butanoate Openeye Name: 4-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]butanoate CAS Name: 4-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]butanoate IUPAC Name: 4-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]butanoate Traditional Name: 4-[[(3S)-1-tosylnipecotoyl]amino]butyrate Formula: C17H23N2O5S- MolecularWeight: 367.43992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C17H24N2O5S/c1-13-6-8-15(9-7-13)25(23,24)19-11-3-4-14(12-19)17(22)18-10-2-5-16(20)21/h6-9,14H,2-5,10-12H2,1H3,(H,18,22)(H,20,21)/p-1/t14-/m0/s1