4-(3-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(3-methylphenoxy)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(3-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(3-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(3-methylphenoxy)-1-[4-[(E)-styryl]sulfonylpiperazino]butan-1-one Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-20-7-5-10-22(19-20)29-17-6-11-23(26)24-13-15-25(16-14-24)30(27,28)18-12-21-8-3-2-4-9-21/h2-5,7-10,12,18-19H,6,11,13-17H2,1H3/b18-12+