(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methyl-pentanoic acid; piperidine

Systemtic Name: (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methyl-pentanoic acid; piperidine Openeye Name: (2S)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-4-methyl-pentanoic acid; piperidine CAS Name: (2S)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-4-methylpentanoic acid; piperidine IUPAC Name: (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylpentanoic acid; piperidine Traditional Name: (2S)-4-methyl-2-(naphthionylamino)valeric acid; piperidine Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S.C5H11N/c1-12(2)11-15(18(21)22)19-25(23,24)17-10-6-7-13-14(17)8-5-9-16(13)20(3)4;1-2-4-6-5-3-1/h5-10,12,15,19H,11H2,1-4H3,(H,21,22);6H,1-5H2/t15-;/m0./s1