ethyl 4-[4-[(3-bromophenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-bromophenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-bromophenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[(3-bromoanilino)-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-bromophenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-bromophenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C20H22BrN3O5S MolecularWeight: 496.37478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrN3O5S/c1-2-29-20(26)23-10-12-24(13-11-23)30(27,28)18-8-6-15(7-9-18)19(25)22-17-5-3-4-16(21)14-17/h3-9,14H,2,10-13H2,1H3,(H,22,25)