2-[(3-azanyl-3-oxidanylidene-propyl)-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(3-azanyl-3-oxidanylidene-propyl)-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[(3-amino-3-oxo-propyl)-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: 2-[(3-amino-3-oxopropyl)-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(3-amino-3-oxopropyl)-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(3-amino-3-keto-propyl)-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C15H22N2O6S MolecularWeight: 358.40998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CCC(=O)N)S(=O)(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)C(C(=O)O)N(CCC(=O)N)S(=O)(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C15H22N2O6S/c1-10(2)14(15(19)20)17(9-8-13(16)18)24(21,22)12-6-4-11(23-3)5-7-12/h4-7,10,14H,8-9H2,1-3H3,(H2,16,18)(H,19,20)