tert-butyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4-methyl-pentanoate

Systemtic Name: tert-butyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4-methyl-pentanoate Openeye Name: tert-butyl 2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-4-methyl-pentanoate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-4-methyl-valeric acid tert-butyl ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O5S/c1-17(2)14-21(22(26)30-23(3,4)5)25(16-18-8-7-13-24-15-18)31(27,28)20-11-9-19(29-6)10-12-20/h7-13,15,17,21H,14,16H2,1-6H3