[4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [4-[(3S)-3-methyl-1-piperidyl]-3-nitro-phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [4-[(3S)-3-methyl-1-piperidinyl]-3-nitrophenyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [4-[(3S)-3-methylpiperidin-1-yl]-3-nitrophenyl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: (4-mesylpiperazino)-[4-[(3S)-3-methylpiperidino]-3-nitro-phenyl]methanone Formula: C18H26N4O5S MolecularWeight: 410.48784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O5S/c1-14-4-3-7-20(13-14)16-6-5-15(12-17(16)22(24)25)18(23)19-8-10-21(11-9-19)28(2,26)27/h5-6,12,14H,3-4,7-11,13H2,1-2H3/t14-/m0/s1