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

Systemtic Name: (4-nitrophenyl)methyl N-[1-(3-methyl-5-methylsulfonyl-3-phenyl-pentyl)piperidin-4-yl]-N-prop-2-enyl-carbamate Openeye Name: (4-nitrophenyl)methyl N-allyl-N-[1-(3-methyl-5-methylsulfonyl-3-phenyl-pentyl)-4-piperidyl]carbamate CAS Name: N-[1-(3-methyl-5-methylsulfonyl-3-phenylpentyl)-4-piperidinyl]-N-prop-2-enylcarbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[1-(3-methyl-5-methylsulfonyl-3-phenylpentyl)piperidin-4-yl]-N-prop-2-enylcarbamate Traditional Name: N-allyl-N-[1-(5-mesyl-3-methyl-3-phenyl-pentyl)-4-piperidyl]carbamic acid (4-nitrobenzyl) ester Formula: C29H39N3O6S MolecularWeight: 557.70146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O6S/c1-4-18-31(28(33)38-23-24-10-12-27(13-11-24)32(34)35)26-14-19-30(20-15-26)21-16-29(2,17-22-39(3,36)37)25-8-6-5-7-9-25/h4-13,26H,1,14-23H2,2-3H3