methyl 2-[(4-butylphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(4-butylphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(4-butylphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(4-butylphenyl)sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-butylphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[(4-butylphenyl)sulfonylamino]-3-methyl-butyric acid methyl ester Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C16H25NO4S/c1-5-6-7-13-8-10-14(11-9-13)22(19,20)17-15(12(2)3)16(18)21-4/h8-12,15,17H,5-7H2,1-4H3