(4-nitrophenyl)methyl N-[1-(3-methyl-3-phenyl-5-propan-2-ylsulfonyl-pentyl)piperidin-4-yl]-N-prop-2-enyl-carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[1-(3-methyl-3-phenyl-5-propan-2-ylsulfonyl-pentyl)piperidin-4-yl]-N-prop-2-enyl-carbamate Openeye Name: (4-nitrophenyl)methyl N-allyl-N-[1-(5-isopropylsulfonyl-3-methyl-3-phenyl-pentyl)-4-piperidyl]carbamate CAS Name: N-[1-(3-methyl-3-phenyl-5-propan-2-ylsulfonylpentyl)-4-piperidinyl]-N-prop-2-enylcarbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[1-(3-methyl-3-phenyl-5-propan-2-ylsulfonylpentyl)piperidin-4-yl]-N-prop-2-enylcarbamate Traditional Name: N-allyl-N-[1-(5-isopropylsulfonyl-3-methyl-3-phenyl-pentyl)-4-piperidyl]carbamic acid (4-nitrobenzyl) ester Formula: C31H43N3O6S MolecularWeight: 585.75462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)CCC(C)(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)CCC(C)(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C31H43N3O6S/c1-5-19-33(30(35)40-24-26-11-13-29(14-12-26)34(36)37)28-15-20-32(21-16-28)22-17-31(4,27-9-7-6-8-10-27)18-23-41(38,39)25(2)3/h5-14,25,28H,1,15-24H2,2-4H3