N-tert-butylpiperazine-2-carboxamide; 2-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: N-tert-butylpiperazine-2-carboxamide; 2-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: N-tert-butylpiperazine-2-carboxamide; 2-(p-tolylsulfonylamino)propanoic acid CAS Name: N-tert-butyl-2-piperazinecarboxamide; 2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: N-tert-butylpiperazine-2-carboxamide; 2-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: N-tert-butylpiperazine-2-carboxamide; 2-(tosylamino)propionic acid Formula: C19H32N4O5S MolecularWeight: 428.54618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)O.CC(C)(C)NC(=O)C1CNCCN1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)O.CC(C)(C)NC(=O)C1CNCCN1

InChI

InChI=1S/C10H13NO4S.C9H19N3O/c1-7-3-5-9(6-4-7)16(14,15)11-8(2)10(12)13;1-9(2,3)12-8(13)7-6-10-4-5-11-7/h3-6,8,11H,1-2H3,(H,12,13);7,10-11H,4-6H2,1-3H3,(H,12,13)