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

Systemtic Name: 2-[(5-chloranylnaphthalen-1-yl)sulfonylamino]-3-methyl-butanoic acid; piperazine-1-carboxamide Openeye Name: 2-[(5-chloro-1-naphthyl)sulfonylamino]-3-methyl-butanoic acid; piperazine-1-carboxamide CAS Name: 2-[(5-chloro-1-naphthalenyl)sulfonylamino]-3-methylbutanoic acid; 1-piperazinecarboxamide IUPAC Name: 2-[(5-chloronaphthalen-1-yl)sulfonylamino]-3-methylbutanoic acid; piperazine-1-carboxamide Traditional Name: 2-[(5-chloro-1-naphthyl)sulfonylamino]-3-methyl-butyric acid; piperazine-1-carboxamide Formula: C20H27ClN4O5S MolecularWeight: 470.97018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO4S.C5H11N3O/c1-9(2)14(15(18)19)17-22(20,21)13-8-4-5-10-11(13)6-3-7-12(10)16;6-5(9)8-3-1-7-2-4-8/h3-9,14,17H,1-2H3,(H,18,19);7H,1-4H2,(H2,6,9)