N-bromanyl-2-(4-propan-2-ylsulfonylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine

Systemtic Name: N-bromanyl-2-(4-propan-2-ylsulfonylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Openeye Name: N-bromo-2-(4-isopropylsulfonylphenyl)-2-(3-isopropylsulfonylpiperazin-1-yl)ethanamine CAS Name: N-bromo-2-(4-propan-2-ylsulfonylphenyl)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)ethanamine IUPAC Name: N-bromo-2-(4-propan-2-ylsulfonylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Traditional Name: bromo-[2-(4-isopropylsulfonylphenyl)-2-(3-isopropylsulfonylpiperazino)ethyl]amine Formula: C18H30BrN3O4S2 MolecularWeight: 496.4825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C(CNBr)C2=CC=C(C=C2)S(=O)(=O)C(C)C

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C(CNBr)C2=CC=C(C=C2)S(=O)(=O)C(C)C

InChI

InChI=1S/C18H30BrN3O4S2/c1-13(2)27(23,24)16-7-5-15(6-8-16)17(11-21-19)22-10-9-20-18(12-22)28(25,26)14(3)4/h5-8,13-14,17-18,20-21H,9-12H2,1-4H3