N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide Openeye Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-nitrophenyl)-1-piperazinyl]propanamide IUPAC Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-nitrophenyl)piperazino]propionamide Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O5S/c1-16(21(27)22-17-5-4-6-20(15-17)32(30,31)23(2)3)24-11-13-25(14-12-24)18-7-9-19(10-8-18)26(28)29/h4-10,15-16H,11-14H2,1-3H3,(H,22,27)