2-[[5-(dibutylamino)naphthalen-1-yl]sulfonylamino]butanedioic acid

Systemtic Name: 2-[[5-(dibutylamino)naphthalen-1-yl]sulfonylamino]butanedioic acid Openeye Name: 2-[[5-(dibutylamino)-1-naphthyl]sulfonylamino]butanedioic acid CAS Name: 2-[[5-(dibutylamino)-1-naphthalenyl]sulfonylamino]butanedioic acid IUPAC Name: 2-[[5-(dibutylamino)naphthalen-1-yl]sulfonylamino]butanedioic acid Traditional Name: 2-[[5-(dibutylamino)-1-naphthyl]sulfonylamino]succinic acid Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCN(CCCC)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C22H30N2O6S/c1-3-5-13-24(14-6-4-2)19-11-7-10-17-16(19)9-8-12-20(17)31(29,30)23-18(22(27)28)15-21(25)26/h7-12,18,23H,3-6,13-15H2,1-2H3,(H,25,26)(H,27,28)