(2S)-4-azanyl-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-oxidanylidene-butanoic acid; piperidine

Systemtic Name: (2S)-4-azanyl-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-oxidanylidene-butanoic acid; piperidine Openeye Name: (2S)-4-amino-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-4-oxo-butanoic acid; piperidine CAS Name: (2S)-4-amino-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-4-oxobutanoic acid; piperidine IUPAC Name: (2S)-4-amino-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-oxobutanoic acid; piperidine Traditional Name: (2S)-4-amino-4-keto-2-(naphthionylamino)butyric acid; piperidine Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CC(=O)N)C(=O)O.C1CCNCC1

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O.C1CCNCC1

InChI

InChI=1S/C16H19N3O5S.C5H11N/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20;1-2-4-6-5-3-1/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22);6H,1-5H2/t12-;/m0./s1