1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: 3-(3-nitrophenyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: 3-(3-nitrophenyl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-16-5-8-19(9-6-16)29(27,28)22-13-11-21(12-14-22)20(24)10-7-17-3-2-4-18(15-17)23(25)26/h2-10,15H,11-14H2,1H3