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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O4S/c1-14-4-3-7-19(13-14)16-6-5-15(12-17(16)21(22)23)26(24,25)20-10-8-18(2)9-11-20/h5-6,12,14H,3-4,7-11,13H2,1-2H3/t14-/m0/s1