[4-[ethyl(thiophen-2-ylmethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[ethyl(thiophen-2-ylmethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[ethyl(2-thienylmethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[ethyl(thiophen-2-ylmethyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[ethyl(thiophen-2-ylmethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[ethyl(2-thenyl)carbamoyl]phenyl] ester Formula: C20H18N2O6S2 MolecularWeight: 446.49672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CS1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CS1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6S2/c1-2-21(14-18-6-4-12-29-18)20(23)15-8-10-17(11-9-15)28-30(26,27)19-7-3-5-16(13-19)22(24)25/h3-13H,2,14H2,1H3