4-(4-methylsulfonyl-2-nitro-phenyl)-N-(2-methyl-1-thiophen-2-yl-propyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-methylsulfonyl-2-nitro-phenyl)-N-(2-methyl-1-thiophen-2-yl-propyl)piperazine-1-carboxamide Openeye Name: 4-(4-methylsulfonyl-2-nitro-phenyl)-N-[2-methyl-1-(2-thienyl)propyl]piperazine-1-carboxamide CAS Name: 4-(4-methylsulfonyl-2-nitrophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-methylsulfonyl-2-nitrophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperazine-1-carboxamide Traditional Name: 4-(4-mesyl-2-nitro-phenyl)-N-[2-methyl-1-(2-thienyl)propyl]piperazine-1-carboxamide Formula: C20H26N4O5S2 MolecularWeight: 466.57424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C1=CC=CS1)NC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S2/c1-14(2)19(18-5-4-12-30-18)21-20(25)23-10-8-22(9-11-23)16-7-6-15(31(3,28)29)13-17(16)24(26)27/h4-7,12-14,19H,8-11H2,1-3H3,(H,21,25)