(E)-3-(4-chloranyl-3-nitro-phenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-chloro-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-chloro-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylsulfonylpiperazino)-3-(4-chloro-3-nitro-phenyl)prop-2-en-1-one Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O5S/c21-18-8-6-16(14-19(18)24(26)27)7-9-20(25)22-10-12-23(13-11-22)30(28,29)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/b9-7+