3-bromanyl-1-[5-(phenylmethyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine

Systemtic Name: 3-bromanyl-1-[5-(phenylmethyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine Openeye Name: 1-[5-benzyl-2-(isopropylsulfonylsulfonylamino)phenyl]-3-bromo-piperazine CAS Name: 3-bromo-1-[5-(phenylmethyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine IUPAC Name: 1-[5-benzyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-bromopiperazine Traditional Name: 1-[5-benzyl-2-(isopropylsulfonylsulfonylamino)phenyl]-3-bromo-piperazine Formula: C20H26BrN3O4S2 MolecularWeight: 516.47214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)Br

Isomeric SMILES

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)Br

InChI

InChI=1S/C20H26BrN3O4S2/c1-15(2)29(25,26)30(27,28)23-18-9-8-17(12-16-6-4-3-5-7-16)13-19(18)24-11-10-22-20(21)14-24/h3-9,13,15,20,22-23H,10-12,14H2,1-2H3