N-[(E)-(3-chloranyl-4,5-dimethoxy-phenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-(3-chloranyl-4,5-dimethoxy-phenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-(3-chloro-4,5-dimethoxy-phenyl)methyleneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-(3-chloro-4,5-dimethoxy-benzylidene)amino]-3-pyrrolidinosulfonyl-benzamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Cl)OC

InChI

InChI=1S/C20H22ClN3O5S/c1-28-18-11-14(10-17(21)19(18)29-2)13-22-23-20(25)15-6-5-7-16(12-15)30(26,27)24-8-3-4-9-24/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,23,25)/b22-13+