4-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperazine-1-carboxylic acid Openeye Name: 4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]piperazine-1-carboxylic acid CAS Name: 4-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperazine-1-carboxylic acid Traditional Name: 4-naphthionylpiperazine-1-carboxylic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCN(CC3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCN(CC3)C(=O)O

InChI

InChI=1S/C17H21N3O4S/c1-18(2)15-7-3-6-14-13(15)5-4-8-16(14)25(23,24)20-11-9-19(10-12-20)17(21)22/h3-8H,9-12H2,1-2H3,(H,21,22)