(2S)-2-(methylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-(methylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Openeye Name: (2S)-2-(methanesulfonamido)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propanoic acid CAS Name: (2S)-2-(methanesulfonamido)-3-[4-[4-(4-piperidinyl)butoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(methanesulfonamido)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Traditional Name: (2S)-2-(methanesulfonamido)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propionic acid Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O

Isomeric SMILES

CS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O

InChI

InChI=1S/C19H30N2O5S/c1-27(24,25)21-18(19(22)23)14-16-5-7-17(8-6-16)26-13-3-2-4-15-9-11-20-12-10-15/h5-8,15,18,20-21H,2-4,9-14H2,1H3,(H,22,23)/t18-/m0/s1