2-[bis[[5-(dimethylamino)naphthalen-1-yl]sulfonyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[bis[[5-(dimethylamino)naphthalen-1-yl]sulfonyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[bis[[5-(dimethylamino)-1-naphthyl]sulfonyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[bis[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[bis[[5-(dimethylamino)naphthalen-1-yl]sulfonyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-(dinaphthionylamino)-3-mercapto-propionic acid Formula: C27H29N3O6S3 MolecularWeight: 587.73066

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N(C(CS)C(=O)O)S(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N(C(CS)C(=O)O)S(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

InChI

InChI=1S/C27H29N3O6S3/c1-28(2)22-13-5-11-20-18(22)9-7-15-25(20)38(33,34)30(24(17-37)27(31)32)39(35,36)26-16-8-10-19-21(26)12-6-14-23(19)29(3)4/h5-16,24,37H,17H2,1-4H3,(H,31,32)