N-tert-butylpiperazine-2-carboxamide; 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: N-tert-butylpiperazine-2-carboxamide; 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoic acid Openeye Name: N-tert-butylpiperazine-2-carboxamide; 3-phenyl-2-(p-tolylsulfonylamino)propanoic acid CAS Name: N-tert-butyl-2-piperazinecarboxamide; 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: N-tert-butylpiperazine-2-carboxamide; 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: N-tert-butylpiperazine-2-carboxamide; 3-phenyl-2-(tosylamino)propionic acid Formula: C25H36N4O5S MolecularWeight: 504.64214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O.CC(C)(C)NC(=O)C1CNCCN1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O.CC(C)(C)NC(=O)C1CNCCN1

InChI

InChI=1S/C16H17NO4S.C9H19N3O/c1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13;1-9(2,3)12-8(13)7-6-10-4-5-11-7/h2-10,15,17H,11H2,1H3,(H,18,19);7,10-11H,4-6H2,1-3H3,(H,12,13)