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

Systemtic Name: N-(2-nitrophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide CAS Name: N-(2-nitrophenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide Traditional Name: 2-(4-benzylsulfonylpiperazino)-N-(2-nitrophenyl)propionamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O5S/c1-16(20(25)21-18-9-5-6-10-19(18)24(26)27)22-11-13-23(14-12-22)30(28,29)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,21,25)