[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[4-(diethylaminomethyl)phenyl]methanone

Systemtic Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[4-(diethylaminomethyl)phenyl]methanone Openeye Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[4-(diethylaminomethyl)phenyl]methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1-piperazinyl]-[4-(diethylaminomethyl)phenyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[4-(diethylaminomethyl)phenyl]methanone Traditional Name: (4-brosylpiperazino)-[4-(diethylaminomethyl)phenyl]methanone Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H28BrN3O3S/c1-3-24(4-2)17-18-5-7-19(8-6-18)22(27)25-13-15-26(16-14-25)30(28,29)21-11-9-20(23)10-12-21/h5-12H,3-4,13-17H2,1-2H3