N-(1,3-benzoxazol-2-yl)-3-cyclopentyl-2-(4-methylsulfonyl-3-nitro-phenyl)propanamide

Systemtic Name: N-(1,3-benzoxazol-2-yl)-3-cyclopentyl-2-(4-methylsulfonyl-3-nitro-phenyl)propanamide Openeye Name: N-(1,3-benzoxazol-2-yl)-3-cyclopentyl-2-(4-methylsulfonyl-3-nitro-phenyl)propanamide CAS Name: N-(1,3-benzoxazol-2-yl)-3-cyclopentyl-2-(4-methylsulfonyl-3-nitrophenyl)propanamide IUPAC Name: N-(1,3-benzoxazol-2-yl)-3-cyclopentyl-2-(4-methylsulfonyl-3-nitrophenyl)propanamide Traditional Name: N-(1,3-benzoxazol-2-yl)-3-cyclopentyl-2-(4-mesyl-3-nitro-phenyl)propionamide Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6S/c1-32(29,30)20-11-10-15(13-18(20)25(27)28)16(12-14-6-2-3-7-14)21(26)24-22-23-17-8-4-5-9-19(17)31-22/h4-5,8-11,13-14,16H,2-3,6-7,12H2,1H3,(H,23,24,26)