2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-N-prop-2-enyl-propanamide

Systemtic Name: 2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-N-prop-2-enyl-propanamide Openeye Name: N-allyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: 2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-N-prop-2-enylpropanamide IUPAC Name: 2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylpropanamide Traditional Name: N-allyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]propionamide Formula: C17H24N4O6S MolecularWeight: 412.46066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O6S/c1-4-7-18-17(22)13(2)19-8-10-20(11-9-19)28(25,26)14-5-6-16(27-3)15(12-14)21(23)24/h4-6,12-13H,1,7-11H2,2-3H3,(H,18,22)