N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-(4-methylsulfanylphenyl)methyleneamino]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(E)-[4-(methylthio)phenyl]methylideneamino]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-[4-(methylthio)benzylidene]amino]-3-piperidinosulfonyl-benzamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H23N3O3S2/c1-27-18-10-8-16(9-11-18)15-21-22-20(24)17-6-5-7-19(14-17)28(25,26)23-12-3-2-4-13-23/h5-11,14-15H,2-4,12-13H2,1H3,(H,22,24)/b21-15+