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

Systemtic Name: N-[2-(4-methylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(4-methylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(4-methylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(4-methylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-(4-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=C(C=C1)OCCNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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