(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid; piperidine

Systemtic Name: (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid; piperidine Openeye Name: (2S)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]pentanoic acid; piperidine CAS Name: (2S)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]pentanoic acid; piperidine IUPAC Name: (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid; piperidine Traditional Name: (2S)-2-(naphthionylamino)valeric acid; piperidine Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@@H](C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C.C1CCNCC1

InChI

InChI=1S/C17H22N2O4S.C5H11N/c1-4-7-14(17(20)21)18-24(22,23)16-11-6-8-12-13(16)9-5-10-15(12)19(2)3;1-2-4-6-5-3-1/h5-6,8-11,14,18H,4,7H2,1-3H3,(H,20,21);6H,1-5H2/t14-;/m0./s1