N-[1-(4-chlorophenyl)-2-methyl-propyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[1-(4-chlorophenyl)-2-methyl-propyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[1-(4-chlorophenyl)-2-methyl-propyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[1-(4-chlorophenyl)-2-methylpropyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[1-(4-chlorophenyl)-2-methylpropyl]-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[1-(4-chlorophenyl)-2-methyl-propyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C21H25ClN4O5S MolecularWeight: 480.965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O5S/c1-15(2)20(16-6-8-17(22)9-7-16)23-21(27)24-10-12-25(13-11-24)32(30,31)19-5-3-4-18(14-19)26(28)29/h3-9,14-15,20H,10-13H2,1-2H3,(H,23,27)