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

Systemtic Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O6S/c1-16-6-7-20(17(2)14-16)31-13-8-22-21(26)23-9-11-24(12-10-23)32(29,30)19-5-3-4-18(15-19)25(27)28/h3-7,14-15H,8-13H2,1-2H3,(H,22,26)