3-methyl-2-[(4-phenylsulfanylphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]butanoic acid

Systemtic Name: 3-methyl-2-[(4-phenylsulfanylphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]butanoic acid Openeye Name: 3-methyl-2-[(4-phenylsulfanylphenyl)sulfonyl-[2-(1-piperidyl)ethyl]amino]butanoic acid CAS Name: 3-methyl-2-[[4-(phenylthio)phenyl]sulfonyl-[2-(1-piperidinyl)ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(4-phenylsulfanylphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]butanoic acid Traditional Name: 3-methyl-2-[[4-(phenylthio)phenyl]sulfonyl-(2-piperidinoethyl)amino]butyric acid Formula: C24H32N2O4S2 MolecularWeight: 476.65188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CCN1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)N(CCN1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O4S2/c1-19(2)23(24(27)28)26(18-17-25-15-7-4-8-16-25)32(29,30)22-13-11-21(12-14-22)31-20-9-5-3-6-10-20/h3,5-6,9-14,19,23H,4,7-8,15-18H2,1-2H3,(H,27,28)