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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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