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

Systemtic Name: 1,3-bis[7-[(3-nitrophenyl)sulfamoyl]naphthalen-2-yl]urea Openeye Name: 1,3-bis[7-[(3-nitrophenyl)sulfamoyl]-2-naphthyl]urea CAS Name: 1,3-bis[7-[(3-nitrophenyl)sulfamoyl]-2-naphthalenyl]urea IUPAC Name: 1,3-bis[7-[(3-nitrophenyl)sulfamoyl]naphthalen-2-yl]urea Traditional Name: 1,3-bis[7-[(3-nitrophenyl)sulfamoyl]-2-naphthyl]urea Formula: C33H24N6O9S2 MolecularWeight: 712.70846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])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)[N+](=O)[O-])C=C2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])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)[N+](=O)[O-])C=C2

InChI

InChI=1S/C33H24N6O9S2/c40-33(34-25-11-7-21-9-13-31(17-23(21)15-25)49(45,46)36-27-3-1-5-29(19-27)38(41)42)35-26-12-8-22-10-14-32(18-24(22)16-26)50(47,48)37-28-4-2-6-30(20-28)39(43)44/h1-20,36-37H,(H2,34,35,40)