5-[[3-(cyclohexylcarbonylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 5-[[3-(cyclohexylcarbonylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-(cyclohexanecarbonylamino)-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-[[cyclohexyl(oxo)methyl]amino]-5-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-(cyclohexanecarbonylamino)-5-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-(cyclohexanecarbonylamino)-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C35H31N3O9S2 MolecularWeight: 701.76534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

InChI

InChI=1S/C35H31N3O9S2/c39-33(21-6-2-1-3-7-21)36-26-17-24(34(40)37-31-10-4-8-22-19-27(48(42,43)44)12-14-29(22)31)16-25(18-26)35(41)38-32-11-5-9-23-20-28(49(45,46)47)13-15-30(23)32/h4-5,8-21H,1-3,6-7H2,(H,36,39)(H,37,40)(H,38,41)(H,42,43,44)(H,45,46,47)