methyl 6-azanyl-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]hexanoate hydrochloride

Systemtic Name: methyl 6-azanyl-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]hexanoate hydrochloride Openeye Name: methyl 6-amino-2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]hexanoate hydrochloride CAS Name: 6-amino-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]hexanoic acid methyl ester hydrochloride IUPAC Name: methyl 6-amino-2-[benzyl-(4-methoxyphenyl)sulfonylamino]hexanoate hydrochloride Traditional Name: 6-amino-2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]hexanoic acid methyl ester hydrochloride Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CCCCN)C(=O)OC.Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CCCCN)C(=O)OC.Cl

InChI

InChI=1S/C21H28N2O5S.ClH/c1-27-18-11-13-19(14-12-18)29(25,26)23(16-17-8-4-3-5-9-17)20(21(24)28-2)10-6-7-15-22;/h3-5,8-9,11-14,20H,6-7,10,15-16,22H2,1-2H3;1H