(2S)-4-(2-chloranyl-4-nitro-phenyl)-2-methyl-1-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: (2S)-4-(2-chloranyl-4-nitro-phenyl)-2-methyl-1-(phenylmethyl)sulfonyl-piperazine Openeye Name: (2S)-1-benzylsulfonyl-4-(2-chloro-4-nitro-phenyl)-2-methyl-piperazine CAS Name: (2S)-4-(2-chloro-4-nitrophenyl)-2-methyl-1-(phenylmethyl)sulfonylpiperazine IUPAC Name: (2S)-1-benzylsulfonyl-4-(2-chloro-4-nitrophenyl)-2-methylpiperazine Traditional Name: (2S)-1-benzylsulfonyl-4-(2-chloro-4-nitro-phenyl)-2-methyl-piperazine Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1CN(CCN1S(=O)(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H20ClN3O4S/c1-14-12-20(18-8-7-16(22(23)24)11-17(18)19)9-10-21(14)27(25,26)13-15-5-3-2-4-6-15/h2-8,11,14H,9-10,12-13H2,1H3/t14-/m0/s1