[2-[3-[(E)-diazanylidenemethyl]piperidin-4-yl]-1-phenyl-ethyl] 2-[2-(2-chloranyl-3-phenyl-phenyl)sulfonyl-2-(phenylmethyl)hydrazinyl]ethanoate

Systemtic Name: [2-[3-[(E)-diazanylidenemethyl]piperidin-4-yl]-1-phenyl-ethyl] 2-[2-(2-chloranyl-3-phenyl-phenyl)sulfonyl-2-(phenylmethyl)hydrazinyl]ethanoate Openeye Name: [2-[3-[(E)-hydrazinylidenemethyl]-4-piperidyl]-1-phenyl-ethyl] 2-[2-benzyl-2-(2-chloro-3-phenyl-phenyl)sulfonyl-hydrazino]acetate CAS Name: 2-[2-(2-chloro-3-phenylphenyl)sulfonyl-2-(phenylmethyl)hydrazinyl]acetic acid [2-[3-[(E)-hydrazinylidenemethyl]-4-piperidinyl]-1-phenylethyl] ester IUPAC Name: [2-[3-[(E)-hydrazinylidenemethyl]piperidin-4-yl]-1-phenylethyl] 2-[2-benzyl-2-(2-chloro-3-phenylphenyl)sulfonylhydrazinyl]acetate Traditional Name: 2-[N'-benzyl-N'-(2-chloro-3-phenyl-phenyl)sulfonyl-hydrazino]acetic acid [2-[3-[(E)-hydrazonomethyl]-4-piperidyl]-1-phenyl-ethyl] ester Formula: C35H38ClN5O4S MolecularWeight: 660.22532

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1CC(C2=CC=CC=C2)OC(=O)CNN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4Cl)C5=CC=CC=C5)C=NN

Isomeric SMILES

C1CNCC(C1CC(C2=CC=CC=C2)OC(=O)CNN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4Cl)C5=CC=CC=C5)/C=N/N

InChI

InChI=1S/C35H38ClN5O4S/c36-35-31(27-13-6-2-7-14-27)17-10-18-33(35)46(43,44)41(25-26-11-4-1-5-12-26)40-24-34(42)45-32(28-15-8-3-9-16-28)21-29-19-20-38-22-30(29)23-39-37/h1-18,23,29-30,32,38,40H,19-22,24-25,37H2/b39-23+