2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C19H26BrN3O3S2 MolecularWeight: 488.46204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H26BrN3O3S2/c1-13(2)23-14(3)11-16(15(23)4)17(24)12-21-7-9-22(10-8-21)28(25,26)19-6-5-18(20)27-19/h5-6,11,13H,7-10,12H2,1-4H3