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

Systemtic Name: N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[5-(4-phenylphenyl)isoxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[5-(4-phenylphenyl)-3-isoxazolyl]methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[5-(4-phenylphenyl)isoxazol-3-yl]methyl]-4-pyrrolidinosulfonyl-benzamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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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=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NOC(=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c31-27(23-12-14-25(15-13-23)35(32,33)30-16-4-5-17-30)28-19-24-18-26(34-29-24)22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-3,6-15,18H,4-5,16-17,19H2,(H,28,31)