N-aminocarbonyl-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-aminocarbonyl-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-carbamoyl-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-carbamoyl-3-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-carbamoyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-carbamoyl-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propionamide Formula: C15H21N5O6S MolecularWeight: 399.42214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCC(=O)NC(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCC(=O)NC(=O)N

InChI

InChI=1S/C15H21N5O6S/c1-11-2-3-12(20(23)24)10-13(11)27(25,26)19-8-6-18(7-9-19)5-4-14(21)17-15(16)22/h2-3,10H,4-9H2,1H3,(H3,16,17,21,22)