[4-[[4-(aminocarbonylamino)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[4-(aminocarbonylamino)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-ureidophenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[4-(carbamoylamino)phenyl]methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[4-(carbamoylamino)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4-ureidobenzyl)carbamoyl]phenyl] ester Formula: C21H18N4O7S MolecularWeight: 470.45522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O7S/c22-21(27)24-16-8-4-14(5-9-16)13-23-20(26)15-6-10-18(11-7-15)32-33(30,31)19-3-1-2-17(12-19)25(28)29/h1-12H,13H2,(H,23,26)(H3,22,24,27)