4-[4-(2-bromophenyl)piperazin-1-yl]sulfonylaniline; thiirane

Systemtic Name: 4-[4-(2-bromophenyl)piperazin-1-yl]sulfonylaniline; thiirane Openeye Name: 4-[4-(2-bromophenyl)piperazin-1-yl]sulfonylaniline; thiirane CAS Name: 4-[[4-(2-bromophenyl)-1-piperazinyl]sulfonyl]aniline; thiirane IUPAC Name: 4-[4-(2-bromophenyl)piperazin-1-yl]sulfonylaniline; thiirane Traditional Name: [4-[4-(2-bromophenyl)piperazino]sulfonylphenyl]amine; thiirane Formula: C18H22BrN3O2S2 MolecularWeight: 456.42018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Br)S(=O)(=O)C3=CC=C(C=C3)N.C1CS1

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Br)S(=O)(=O)C3=CC=C(C=C3)N.C1CS1

InChI

InChI=1S/C16H18BrN3O2S.C2H4S/c17-15-3-1-2-4-16(15)19-9-11-20(12-10-19)23(21,22)14-7-5-13(18)6-8-14;1-2-3-1/h1-8H,9-12,18H2;1-2H2