2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-3-methylbutanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butyric acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)O)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H22N2O5S/c1-13(2)17(18(21)22)20(12-14-5-4-10-19-11-14)26(23,24)16-8-6-15(25-3)7-9-16/h4-11,13,17H,12H2,1-3H3,(H,21,22)