1,3-bis[7-[(3-sulfamoylphenyl)sulfamoyl]naphthalen-2-yl]urea

Systemtic Name: 1,3-bis[7-[(3-sulfamoylphenyl)sulfamoyl]naphthalen-2-yl]urea Openeye Name: 1,3-bis[7-[(3-sulfamoylphenyl)sulfamoyl]-2-naphthyl]urea CAS Name: 1,3-bis[7-[(3-sulfamoylphenyl)sulfamoyl]-2-naphthalenyl]urea IUPAC Name: 1,3-bis[7-[(3-sulfamoylphenyl)sulfamoyl]naphthalen-2-yl]urea Traditional Name: 1,3-bis[7-[(3-sulfamoylphenyl)sulfamoyl]-2-naphthyl]urea Formula: C33H28N6O9S4 MolecularWeight: 780.87022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC3=C(C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)NC6=CC(=CC=C6)S(=O)(=O)N)C=C2

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC3=C(C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)NC6=CC(=CC=C6)S(=O)(=O)N)C=C2

InChI

InChI=1S/C33H28N6O9S4/c34-49(41,42)29-5-1-3-27(19-29)38-51(45,46)31-13-9-21-7-11-25(15-23(21)17-31)36-33(40)37-26-12-8-22-10-14-32(18-24(22)16-26)52(47,48)39-28-4-2-6-30(20-28)50(35,43)44/h1-20,38-39H,(H2,34,41,42)(H2,35,43,44)(H2,36,37,40)