N-[2-(2-methoxyphenyl)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(2-methoxyphenyl)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(2-methoxyphenyl)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(2-methoxyphenyl)ethyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(2-methoxyphenyl)ethyl]-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-(2-methoxyphenyl)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6S/c1-30-19-8-3-2-5-16(19)9-10-21-20(25)22-11-13-23(14-12-22)31(28,29)18-7-4-6-17(15-18)24(26)27/h2-8,15H,9-14H2,1H3,(H,21,25)