3-(4-nitrophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 3-(4-nitrophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 3-(4-nitrophenyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 3-(4-nitrophenyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: 3-(4-nitrophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: 3-(4-nitrophenyl)-1-[4-(2-thienylsulfonyl)piperazino]prop-2-en-1-one Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H17N3O5S2/c21-16(8-5-14-3-6-15(7-4-14)20(22)23)18-9-11-19(12-10-18)27(24,25)17-2-1-13-26-17/h1-8,13H,9-12H2