4-methyl-N-[1-[4-[1-[(2-nitrophenyl)methylsulfonyl]piperidin-4-yl]piperidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[1-[4-[1-[(2-nitrophenyl)methylsulfonyl]piperidin-4-yl]piperidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]benzenesulfonamide Openeye Name: N-[1-benzyl-2-[4-[1-[(2-nitrophenyl)methylsulfonyl]-4-piperidyl]-1-piperidyl]-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[1-[4-[1-[(2-nitrophenyl)methylsulfonyl]-4-piperidinyl]-1-piperidinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[1-[4-[1-[(2-nitrophenyl)methylsulfonyl]piperidin-4-yl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide Traditional Name: N-[1-benzyl-2-keto-2-[4-[1-(2-nitrobenzyl)sulfonyl-4-piperidyl]piperidino]ethyl]-4-methyl-benzenesulfonamide Formula: C33H40N4O7S2 MolecularWeight: 668.8233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)N3CCC(CC3)C4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)N3CCC(CC3)C4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C33H40N4O7S2/c1-25-11-13-30(14-12-25)46(43,44)34-31(23-26-7-3-2-4-8-26)33(38)35-19-15-27(16-20-35)28-17-21-36(22-18-28)45(41,42)24-29-9-5-6-10-32(29)37(39)40/h2-14,27-28,31,34H,15-24H2,1H3