2-[(5-chloranylnaphthalen-1-yl)sulfonylamino]-3-phenyl-propanoic acid; piperazine-1-carboxamide

Systemtic Name: 2-[(5-chloranylnaphthalen-1-yl)sulfonylamino]-3-phenyl-propanoic acid; piperazine-1-carboxamide Openeye Name: 2-[(5-chloro-1-naphthyl)sulfonylamino]-3-phenyl-propanoic acid; piperazine-1-carboxamide CAS Name: 2-[(5-chloro-1-naphthalenyl)sulfonylamino]-3-phenylpropanoic acid; 1-piperazinecarboxamide IUPAC Name: 2-[(5-chloronaphthalen-1-yl)sulfonylamino]-3-phenylpropanoic acid; piperazine-1-carboxamide Traditional Name: 2-[(5-chloro-1-naphthyl)sulfonylamino]-3-phenyl-propionic acid; piperazine-1-carboxamide Formula: C24H27ClN4O5S MolecularWeight: 519.01298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)N.C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl

Isomeric SMILES

C1CN(CCN1)C(=O)N.C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl

InChI

InChI=1S/C19H16ClNO4S.C5H11N3O/c20-16-10-4-9-15-14(16)8-5-11-18(15)26(24,25)21-17(19(22)23)12-13-6-2-1-3-7-13;6-5(9)8-3-1-7-2-4-8/h1-11,17,21H,12H2,(H,22,23);7H,1-4H2,(H2,6,9)