N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-(2,4-dimethoxyphenyl)methyleneamino]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-(2,4-dimethoxybenzylidene)amino]-3-piperidinosulfonyl-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=N/NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C21H25N3O5S/c1-28-18-10-9-17(20(14-18)29-2)15-22-23-21(25)16-7-6-8-19(13-16)30(26,27)24-11-4-3-5-12-24/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,23,25)/b22-15+