N-(2-imidazol-1-ylethyl)-3-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-imidazol-1-ylethyl)-3-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-[(4-hydroxy-3-methoxy-phenyl)methylamino]-N-(2-imidazol-1-ylethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-N-[2-(1-imidazolyl)ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-N-(2-imidazol-1-ylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-imidazol-1-ylethyl)-3-pyrrolidinosulfonyl-5-(vanillylamino)benzamide Formula: C24H29N5O5S MolecularWeight: 499.58256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC(=CC(=C2)C(=O)NCCN3C=CN=C3)S(=O)(=O)N4CCCC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC(=CC(=C2)C(=O)NCCN3C=CN=C3)S(=O)(=O)N4CCCC4)O

InChI

InChI=1S/C24H29N5O5S/c1-34-23-12-18(4-5-22(23)30)16-27-20-13-19(24(31)26-7-11-28-10-6-25-17-28)14-21(15-20)35(32,33)29-8-2-3-9-29/h4-6,10,12-15,17,27,30H,2-3,7-9,11,16H2,1H3,(H,26,31)