methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[3-(dimethylamino)propyl]-5-oxidanylidene-piperazine-2-carboxylate

Systemtic Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[3-(dimethylamino)propyl]-5-oxidanylidene-piperazine-2-carboxylate Openeye Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[3-(dimethylamino)propyl]-5-oxo-piperazine-2-carboxylate CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[3-(dimethylamino)propyl]-5-oxo-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[3-(dimethylamino)propyl]-5-oxopiperazine-2-carboxylate Traditional Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[3-(dimethylamino)propyl]-5-keto-piperazine-2-carboxylic acid methyl ester Formula: C23H28BrN3O5S MolecularWeight: 538.45452

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CN(C)CCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C23H28BrN3O5S/c1-25(2)13-4-14-26-15-21(23(29)32-3)27(16-22(26)28)33(30,31)20-11-7-18(8-12-20)17-5-9-19(24)10-6-17/h5-12,21H,4,13-16H2,1-3H3