[4-(cyclopentylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-(cyclopentylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-(cyclopentylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[(cyclopentylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(cyclopentylcarbamoyl)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-(cyclopentylcarbamoyl)phenyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3CCCC3

InChI

InChI=1S/C19H20N2O6S/c1-13-6-9-16(21(23)24)12-18(13)28(25,26)27-17-10-7-14(8-11-17)19(22)20-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,20,22)