4-(3-methylphenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(3-methylphenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 4-(3-methylphenoxy)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(3-methylphenoxy)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(3-methylphenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 4-(3-methylphenoxy)-1-[4-(2-thienylsulfonyl)piperazino]butan-1-one Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H24N2O4S2/c1-16-5-2-6-17(15-16)25-13-3-7-18(22)20-9-11-21(12-10-20)27(23,24)19-8-4-14-26-19/h2,4-6,8,14-15H,3,7,9-13H2,1H3