(E)-3-(4-ethylphenyl)-1-(3-piperazin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-ethylphenyl)-1-(3-piperazin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-ethylphenyl)-1-(3-piperazin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(4-ethylphenyl)-1-[3-(1-piperazinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-ethylphenyl)-1-(3-piperazin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-ethylphenyl)-1-(3-piperazinosulfonylphenyl)prop-2-en-1-one Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNCC3

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNCC3

InChI

InChI=1S/C21H24N2O3S/c1-2-17-6-8-18(9-7-17)10-11-21(24)19-4-3-5-20(16-19)27(25,26)23-14-12-22-13-15-23/h3-11,16,22H,2,12-15H2,1H3/b11-10+