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

Systemtic Name: tert-butyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanoate Openeye Name: tert-butyl 2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butanoate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butyric acid tert-butyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-16(2)20(21(25)29-22(3,4)5)24(15-17-8-7-13-23-14-17)30(26,27)19-11-9-18(28-6)10-12-19/h7-14,16,20H,15H2,1-6H3