N-[1-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperidin-4-yl]methanesulfonamide

Systemtic Name: N-[1-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperidin-4-yl]methanesulfonamide Openeye Name: N-[1-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]-4-piperidyl]methanesulfonamide CAS Name: N-[1-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-4-piperidinyl]methanesulfonamide IUPAC Name: N-[1-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperidin-4-yl]methanesulfonamide Traditional Name: N-[1-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]-4-piperidyl]methanesulfonamide Formula: C18H28N4O6S2 MolecularWeight: 460.56812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)NS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)NS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O6S2/c1-14-4-3-9-21(13-14)30(27,28)16-5-6-17(18(12-16)22(23)24)20-10-7-15(8-11-20)19-29(2,25)26/h5-6,12,14-15,19H,3-4,7-11,13H2,1-2H3