(3S)-1-(4-imidazol-1-yl-3-nitro-phenyl)sulfonyl-3-methyl-piperidine

Systemtic Name: (3S)-1-(4-imidazol-1-yl-3-nitro-phenyl)sulfonyl-3-methyl-piperidine Openeye Name: (3S)-1-(4-imidazol-1-yl-3-nitro-phenyl)sulfonyl-3-methyl-piperidine CAS Name: (3S)-1-[4-(1-imidazolyl)-3-nitrophenyl]sulfonyl-3-methylpiperidine IUPAC Name: (3S)-1-(4-imidazol-1-yl-3-nitrophenyl)sulfonyl-3-methylpiperidine Traditional Name: (3S)-1-(4-imidazol-1-yl-3-nitro-phenyl)sulfonyl-3-methyl-piperidine Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4S/c1-12-3-2-7-18(10-12)24(22,23)13-4-5-14(15(9-13)19(20)21)17-8-6-16-11-17/h4-6,8-9,11-12H,2-3,7,10H2,1H3/t12-/m0/s1