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

Systemtic Name: N-(3-nitrophenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(3-nitrophenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(3-nitrophenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(3-nitrophenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: 3-(4-mesitylsulfonylpiperazino)-N-(3-nitrophenyl)propionamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c1-16-13-17(2)22(18(3)14-16)32(30,31)25-11-9-24(10-12-25)8-7-21(27)23-19-5-4-6-20(15-19)26(28)29/h4-6,13-15H,7-12H2,1-3H3,(H,23,27)