N-(2-methyl-3-nitro-phenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: 3-(4-mesitylsulfonylpiperazino)-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C23H30N4O5S/c1-16-14-17(2)23(18(3)15-16)33(31,32)26-12-10-25(11-13-26)9-8-22(28)24-20-6-5-7-21(19(20)4)27(29)30/h5-7,14-15H,8-13H2,1-4H3,(H,24,28)