(3S)-3-(butylsulfonylamino)-4-[4-(4-piperidin-4-ylbutoxy)phenyl]butanoic acid

Systemtic Name: (3S)-3-(butylsulfonylamino)-4-[4-(4-piperidin-4-ylbutoxy)phenyl]butanoic acid Openeye Name: (3S)-3-(butylsulfonylamino)-4-[4-[4-(4-piperidyl)butoxy]phenyl]butanoic acid CAS Name: (3S)-3-(butylsulfonylamino)-4-[4-[4-(4-piperidinyl)butoxy]phenyl]butanoic acid IUPAC Name: (3S)-3-(butylsulfonylamino)-4-[4-(4-piperidin-4-ylbutoxy)phenyl]butanoic acid Traditional Name: (3S)-3-(butylsulfonylamino)-4-[4-[4-(4-piperidyl)butoxy]phenyl]butyric acid Formula: C23H38N2O5S MolecularWeight: 454.62322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O5S/c1-2-3-16-31(28,29)25-21(18-23(26)27)17-20-7-9-22(10-8-20)30-15-5-4-6-19-11-13-24-14-12-19/h7-10,19,21,24-25H,2-6,11-18H2,1H3,(H,26,27)/t21-/m0/s1