(E)-3-(4-bromophenyl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromophenyl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-bromophenyl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-bromophenyl)-1-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-bromophenyl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-bromophenyl)-1-(4-pyrrolidinosulfonylpiperazino)prop-2-en-1-one Formula: C17H22BrN3O3S MolecularWeight: 428.34388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H22BrN3O3S/c18-16-6-3-15(4-7-16)5-8-17(22)19-11-13-21(14-12-19)25(23,24)20-9-1-2-10-20/h3-8H,1-2,9-14H2/b8-5+