1-methyl-4-[4-[(2S)-2-methylpiperidin-1-yl]-3-nitro-phenyl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[4-[(2S)-2-methylpiperidin-1-yl]-3-nitro-phenyl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[4-[(2S)-2-methyl-1-piperidyl]-3-nitro-phenyl]sulfonyl-piperazine CAS Name: 1-methyl-4-[4-[(2S)-2-methyl-1-piperidinyl]-3-nitrophenyl]sulfonylpiperazine IUPAC Name: 1-methyl-4-[4-[(2S)-2-methylpiperidin-1-yl]-3-nitrophenyl]sulfonylpiperazine Traditional Name: 1-methyl-4-[4-[(2S)-2-methylpiperidino]-3-nitro-phenyl]sulfonyl-piperazine Formula: C17H26N4O4S MolecularWeight: 382.47774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O4S/c1-14-5-3-4-8-20(14)16-7-6-15(13-17(16)21(22)23)26(24,25)19-11-9-18(2)10-12-19/h6-7,13-14H,3-5,8-12H2,1-2H3/t14-/m0/s1