N-(3-imidazol-1-ylpropyl)-3-[(3-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-[(3-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-3-[(3-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-3-[(3-methoxyphenyl)methylamino]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-[(3-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3-(m-anisylamino)-5-pyrrolidinosulfonyl-benzamide Formula: C25H31N5O4S MolecularWeight: 497.60974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=CC(=CC(=C2)C(=O)NCCCN3C=CN=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=CC(=CC(=C2)C(=O)NCCCN3C=CN=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H31N5O4S/c1-34-23-7-4-6-20(14-23)18-28-22-15-21(25(31)27-8-5-10-29-13-9-26-19-29)16-24(17-22)35(32,33)30-11-2-3-12-30/h4,6-7,9,13-17,19,28H,2-3,5,8,10-12,18H2,1H3,(H,27,31)