N-[(E)-(3-nitrophenyl)methylideneamino]-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine

Systemtic Name: N-[(E)-(3-nitrophenyl)methylideneamino]-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine Openeye Name: N-[(E)-(3-nitrophenyl)methyleneamino]-4-[3-(1-piperidylsulfonyl)phenyl]thiazol-2-amine CAS Name: N-[(E)-(3-nitrophenyl)methylideneamino]-4-[3-(1-piperidinylsulfonyl)phenyl]-2-thiazolamine IUPAC Name: N-[(E)-(3-nitrophenyl)methylideneamino]-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine Traditional Name: [(E)-(3-nitrobenzylidene)amino]-[4-(3-piperidinosulfonylphenyl)thiazol-2-yl]amine Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=N3)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=N3)N/N=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S2/c27-26(28)18-8-4-6-16(12-18)14-22-24-21-23-20(15-31-21)17-7-5-9-19(13-17)32(29,30)25-10-2-1-3-11-25/h4-9,12-15H,1-3,10-11H2,(H,23,24)/b22-14+