2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methyl-butanoic acid; piperidine

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methyl-butanoic acid; piperidine Openeye Name: 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-methyl-butanoic acid; piperidine CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-methylbutanoic acid; piperidine IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methylbutanoic acid; piperidine Traditional Name: 3-methyl-2-(naphthionylamino)butyric acid; piperidine Formula: C22H33N3O4S MolecularWeight: 435.58012

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=C2N(C)C.C1CCNCC1

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C.C1CCNCC1

InChI

InChI=1S/C17H22N2O4S.C5H11N/c1-11(2)16(17(20)21)18-24(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(3)4;1-2-4-6-5-3-1/h5-11,16,18H,1-4H3,(H,20,21);6H,1-5H2