N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S2/c1-16-6-7-19(14-17(16)2)31-13-8-22-21(26)23-9-11-24(12-10-23)32(29,30)20-5-3-4-18(15-20)25(27)28/h3-7,14-15H,8-13H2,1-2H3,(H,22,26)