ethyl N-hexadecylsulfonyl-N-[(E)-(1-methyl-6-nitro-2-phenyl-quinolin-4-ylidene)amino]carbamate

Systemtic Name: ethyl N-hexadecylsulfonyl-N-[(E)-(1-methyl-6-nitro-2-phenyl-quinolin-4-ylidene)amino]carbamate Openeye Name: ethyl N-hexadecylsulfonyl-N-[(E)-(1-methyl-6-nitro-2-phenyl-4-quinolylidene)amino]carbamate CAS Name: N-hexadecylsulfonyl-N-[(E)-(1-methyl-6-nitro-2-phenyl-4-quinolinylidene)amino]carbamic acid ethyl ester IUPAC Name: ethyl N-hexadecylsulfonyl-N-[(E)-(1-methyl-6-nitro-2-phenylquinolin-4-ylidene)amino]carbamate Traditional Name: N-cetylsulfonyl-N-[(E)-(1-methyl-6-nitro-2-phenyl-4-quinolylidene)amino]carbamic acid ethyl ester Formula: C35H50N4O6S MolecularWeight: 654.8597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)N(C(=O)OCC)N=C1C=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)N(C(=O)OCC)/N=C/1\C=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])C)C3=CC=CC=C3

InChI

InChI=1S/C35H50N4O6S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-26-46(43,44)38(35(40)45-5-2)36-32-28-34(29-22-19-18-20-23-29)37(3)33-25-24-30(39(41)42)27-31(32)33/h18-20,22-25,27-28H,4-17,21,26H2,1-3H3/b36-32+