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

Systemtic Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanoate hydrochloride Openeye Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butanoate hydrochloride CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-3-methylbutanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoate hydrochloride Traditional Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butyric acid methyl ester hydrochloride Formula: C19H25ClN2O5S MolecularWeight: 428.9302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O5S.ClH/c1-14(2)18(19(22)26-4)21(13-15-6-5-11-20-12-15)27(23,24)17-9-7-16(25-3)8-10-17;/h5-12,14,18H,13H2,1-4H3;1H