2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enyl-propanamide

Systemtic Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enyl-propanamide Openeye Name: N-allyl-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: 2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-N-prop-2-enylpropanamide IUPAC Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylpropanamide Traditional Name: N-allyl-2-[4-(3-nitrophenyl)sulfonylpiperazino]propionamide Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC=C)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O5S/c1-3-7-17-16(21)13(2)18-8-10-19(11-9-18)26(24,25)15-6-4-5-14(12-15)20(22)23/h3-6,12-13H,1,7-11H2,2H3,(H,17,21)