N-(4-ethylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(4-ethylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(4-ethylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(4-ethylphenyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(4-ethylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(4-ethylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazino]propionamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-3-17-8-10-18(11-9-17)22-21(26)16(2)23-12-14-24(15-13-23)31(29,30)20-7-5-4-6-19(20)25(27)28/h4-11,16H,3,12-15H2,1-2H3,(H,22,26)