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

Systemtic Name: 4-(4-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-methylphenoxy)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(4-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-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=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-20-9-11-22(12-10-20)29-18-5-8-23(26)24-14-16-25(17-15-24)30(27,28)19-13-21-6-3-2-4-7-21/h2-4,6-7,9-13,19H,5,8,14-18H2,1H3/b19-13+