N-(2-cyclopentylsulfanylphenyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-4-morpholino-3-nitro-benzamide CAS Name: N-[2-(cyclopentylthio)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-4-morpholino-3-nitro-benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4S/c26-22(23-18-7-3-4-8-21(18)30-17-5-1-2-6-17)16-9-10-19(20(15-16)25(27)28)24-11-13-29-14-12-24/h3-4,7-10,15,17H,1-2,5-6,11-14H2,(H,23,26)