2-[(5-chloranylnaphthalen-1-yl)sulfonylamino]propanoic acid; piperazine-1-carboxamide

Systemtic Name: 2-[(5-chloranylnaphthalen-1-yl)sulfonylamino]propanoic acid; piperazine-1-carboxamide Openeye Name: 2-[(5-chloro-1-naphthyl)sulfonylamino]propanoic acid; piperazine-1-carboxamide CAS Name: 2-[(5-chloro-1-naphthalenyl)sulfonylamino]propanoic acid; 1-piperazinecarboxamide IUPAC Name: 2-[(5-chloronaphthalen-1-yl)sulfonylamino]propanoic acid; piperazine-1-carboxamide Traditional Name: 2-[(5-chloro-1-naphthyl)sulfonylamino]propionic acid; piperazine-1-carboxamide Formula: C18H23ClN4O5S MolecularWeight: 442.91702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2Cl.C1CN(CCN1)C(=O)N

Isomeric SMILES

CC(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2Cl.C1CN(CCN1)C(=O)N

InChI

InChI=1S/C13H12ClNO4S.C5H11N3O/c1-8(13(16)17)15-20(18,19)12-7-3-4-9-10(12)5-2-6-11(9)14;6-5(9)8-3-1-7-2-4-8/h2-8,15H,1H3,(H,16,17);7H,1-4H2,(H2,6,9)