4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-pentyl-butanamide

Systemtic Name: 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-pentyl-butanamide Openeye Name: 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxo-N-pentyl-butanamide CAS Name: 4-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxo-N-pentylbutanamide IUPAC Name: 4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-pentylbutanamide Traditional Name: N-amyl-4-keto-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]butyramide Formula: C20H30N4O6S MolecularWeight: 454.5404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O6S/c1-3-4-5-10-21-19(25)8-9-20(26)22-11-13-23(14-12-22)31(29,30)18-15-17(24(27)28)7-6-16(18)2/h6-7,15H,3-5,8-14H2,1-2H3,(H,21,25)