[4-[(5-chloranylthiophen-2-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(5-chloro-2-thienyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(5-chloro-2-thiophenyl)methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(5-chlorothiophen-2-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(5-chloro-2-thienyl)methylcarbamoyl]phenyl] ester Formula: C18H13ClN2O6S2 MolecularWeight: 452.88862

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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(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC=C(S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN2O6S2/c19-17-9-8-15(28-17)11-20-18(22)12-4-6-14(7-5-12)27-29(25,26)16-3-1-2-13(10-16)21(23)24/h1-10H,11H2,(H,20,22)