methyl 3-azanyl-2-[(2,6-dimethyl-4-phenyl-phenyl)sulfonylamino]propanoate hydrochloride

Systemtic Name: methyl 3-azanyl-2-[(2,6-dimethyl-4-phenyl-phenyl)sulfonylamino]propanoate hydrochloride Openeye Name: methyl 3-amino-2-[(2,6-dimethyl-4-phenyl-phenyl)sulfonylamino]propanoate hydrochloride CAS Name: 3-amino-2-[(2,6-dimethyl-4-phenylphenyl)sulfonylamino]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-amino-2-[(2,6-dimethyl-4-phenylphenyl)sulfonylamino]propanoate hydrochloride Traditional Name: 3-amino-2-[(2,6-dimethyl-4-phenyl-phenyl)sulfonylamino]propionic acid methyl ester hydrochloride Formula: C18H23ClN2O4S MolecularWeight: 398.90422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)NC(CN)C(=O)OC)C)C2=CC=CC=C2.Cl

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)NC(CN)C(=O)OC)C)C2=CC=CC=C2.Cl

InChI

InChI=1S/C18H22N2O4S.ClH/c1-12-9-15(14-7-5-4-6-8-14)10-13(2)17(12)25(22,23)20-16(11-19)18(21)24-3;/h4-10,16,20H,11,19H2,1-3H3;1H