(3,4,5-trimethoxyphenyl) 3-[(2-azanyl-3-methyl-butanoyl)amino]-4-methoxy-benzenesulfonate

Systemtic Name: (3,4,5-trimethoxyphenyl) 3-[(2-azanyl-3-methyl-butanoyl)amino]-4-methoxy-benzenesulfonate Openeye Name: (3,4,5-trimethoxyphenyl) 3-[(2-amino-3-methyl-butanoyl)amino]-4-methoxy-benzenesulfonate CAS Name: 3-[(2-amino-3-methyl-1-oxobutyl)amino]-4-methoxybenzenesulfonic acid (3,4,5-trimethoxyphenyl) ester IUPAC Name: (3,4,5-trimethoxyphenyl) 3-[(2-amino-3-methylbutanoyl)amino]-4-methoxybenzenesulfonate Traditional Name: 3-[(2-amino-3-methyl-butanoyl)amino]-4-methoxy-benzenesulfonic acid (3,4,5-trimethoxyphenyl) ester Formula: C21H28N2O8S MolecularWeight: 468.52062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)OC2=CC(=C(C(=C2)OC)OC)OC)OC)N

Isomeric SMILES

CC(C)C(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)OC2=CC(=C(C(=C2)OC)OC)OC)OC)N

InChI

InChI=1S/C21H28N2O8S/c1-12(2)19(22)21(24)23-15-11-14(7-8-16(15)27-3)32(25,26)31-13-9-17(28-4)20(30-6)18(10-13)29-5/h7-12,19H,22H2,1-6H3,(H,23,24)