N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[5-(2-naphthyl)isoxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[5-(2-naphthalenyl)-3-isoxazolyl]methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[5-(2-naphthyl)isoxazol-3-yl]methyl]-4-pyrrolidinosulfonyl-benzamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NOC(=C3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NOC(=C3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H23N3O4S/c29-25(19-9-11-23(12-10-19)33(30,31)28-13-3-4-14-28)26-17-22-16-24(32-27-22)21-8-7-18-5-1-2-6-20(18)15-21/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,26,29)