1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(4-methylphenoxy)propan-1-one

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(4-methylphenoxy)propan-1-one Openeye Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one CAS Name: 1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-(4-methylphenoxy)-1-propanone IUPAC Name: 1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(4-methylphenoxy)propan-1-one Traditional Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-2-(4-methylphenoxy)propan-1-one Formula: C18H21BrN2O4S2 MolecularWeight: 473.40434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H21BrN2O4S2/c1-13-3-5-15(6-4-13)25-14(2)18(22)20-9-11-21(12-10-20)27(23,24)17-8-7-16(19)26-17/h3-8,14H,9-12H2,1-2H3