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

Systemtic Name: N-(methylcarbamoyl)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(methylcarbamoyl)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(methylcarbamoyl)-3-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(methylcarbamoyl)-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(methylcarbamoyl)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propionamide Formula: C16H23N5O6S MolecularWeight: 413.44872

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O6S/c1-12-3-4-13(21(24)25)11-14(12)28(26,27)20-9-7-19(8-10-20)6-5-15(22)18-16(23)17-2/h3-4,11H,5-10H2,1-2H3,(H2,17,18,22,23)