4-(3-methylphenoxy)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-methylphenoxy)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(3-methylphenoxy)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]butan-1-one CAS Name: 4-(3-methylphenoxy)-1-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(3-methylphenoxy)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(3-methylphenoxy)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]butan-1-one Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S2/c1-16-5-3-6-18(15-16)26-14-4-7-19(23)21-10-12-22(13-11-21)28(24,25)20-9-8-17(2)27-20/h3,5-6,8-9,15H,4,7,10-14H2,1-2H3