3-[(2-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-[(2-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-[(2-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-[(2-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-[(2-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-[(2-fluorobenzyl)amino]-N-p-anisyl-5-pyrrolidinosulfonyl-benzamide Formula: C26H28FN3O4S MolecularWeight: 497.581623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CC=CC=C4F

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CC=CC=C4F

InChI

InChI=1S/C26H28FN3O4S/c1-34-23-10-8-19(9-11-23)17-29-26(31)21-14-22(28-18-20-6-2-3-7-25(20)27)16-24(15-21)35(32,33)30-12-4-5-13-30/h2-3,6-11,14-16,28H,4-5,12-13,17-18H2,1H3,(H,29,31)