1-[4-(1-cyclopropylimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[4-(1-cyclopropylimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[4-(1-cyclopropylimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-[4-[(1-cyclopropyl-2-imidazolyl)thio]-3-nitrophenyl]sulfonyl-4-methylpiperazine IUPAC Name: 1-[4-(1-cyclopropylimidazol-2-yl)sulfanyl-3-nitrophenyl]sulfonyl-4-methylpiperazine Traditional Name: 1-[4-[(1-cyclopropylimidazol-2-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C17H21N5O4S2 MolecularWeight: 423.50974

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CN3C4CC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CN3C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S2/c1-19-8-10-20(11-9-19)28(25,26)14-4-5-16(15(12-14)22(23)24)27-17-18-6-7-21(17)13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3