1-(4-butan-2-ylphenyl)sulfonyl-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine

Systemtic Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine Openeye Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-(4-sec-butylphenyl)sulfonyl-piperazine CAS Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-(3-methyl-5-nitro-4-imidazolyl)piperazine IUPAC Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-(3-methyl-5-nitroimidazol-4-yl)piperazine Traditional Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-(4-sec-butylphenyl)sulfonyl-piperazine Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(N=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(N=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4S/c1-4-14(2)15-5-7-16(8-6-15)28(26,27)22-11-9-21(10-12-22)18-17(23(24)25)19-13-20(18)3/h5-8,13-14H,4,9-12H2,1-3H3