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

Systemtic Name: (4-nitrophenyl)methyl N-[1-[3-phenyl-5-(phenylsulfonyl)heptyl]piperidin-4-yl]-N-prop-2-enyl-carbamate Openeye Name: (4-nitrophenyl)methyl N-allyl-N-[1-[5-(benzenesulfonyl)-3-phenyl-heptyl]-4-piperidyl]carbamate CAS Name: N-[1-[5-(benzenesulfonyl)-3-phenylheptyl]-4-piperidinyl]-N-prop-2-enylcarbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[1-[5-(benzenesulfonyl)-3-phenylheptyl]piperidin-4-yl]-N-prop-2-enylcarbamate Traditional Name: N-allyl-N-[1-(5-besyl-3-phenyl-heptyl)-4-piperidyl]carbamic acid (4-nitrobenzyl) ester Formula: C35H43N3O6S MolecularWeight: 633.79742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC(CC(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C35H43N3O6S/c1-3-22-37(35(39)44-27-28-15-17-32(18-16-28)38(40)41)31-20-24-36(25-21-31)23-19-30(29-11-7-5-8-12-29)26-33(4-2)45(42,43)34-13-9-6-10-14-34/h3,5-18,30-31,33H,1,4,19-27H2,2H3