5-[[3-azanyl-5-[ethanoyl-(6-sulfonaphthalen-1-yl)amino]phenyl]carbonyl-methyl-amino]naphthalene-2-sulfonic acid

Systemtic Name: 5-[[3-azanyl-5-[ethanoyl-(6-sulfonaphthalen-1-yl)amino]phenyl]carbonyl-methyl-amino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-[acetyl-(6-sulfo-1-naphthyl)amino]-5-amino-benzoyl]-methyl-amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-[acetyl-(6-sulfo-1-naphthalenyl)amino]-5-aminophenyl]-oxomethyl]-methylamino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-[acetyl-(6-sulfonaphthalen-1-yl)amino]-5-aminobenzoyl]-methylamino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-[acetyl-(6-sulfo-1-naphthyl)amino]-5-amino-benzoyl]-methyl-amino]naphthalene-2-sulfonic acid Formula: C30H25N3O8S2 MolecularWeight: 619.6648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC2=C1C=CC(=C2)S(=O)(=O)O)C3=CC(=CC(=C3)N)C(=O)N(C)C4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

Isomeric SMILES

CC(=O)N(C1=CC=CC2=C1C=CC(=C2)S(=O)(=O)O)C3=CC(=CC(=C3)N)C(=O)N(C)C4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C30H25N3O8S2/c1-18(34)33(29-8-4-6-20-16-25(43(39,40)41)10-12-27(20)29)23-14-21(13-22(31)17-23)30(35)32(2)28-7-3-5-19-15-24(42(36,37)38)9-11-26(19)28/h3-17H,31H2,1-2H3,(H,36,37,38)(H,39,40,41)