N-(4-cyclopentylsulfanylphenyl)-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-[4-(cyclopentylthio)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SC3CCCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SC3CCCC3)OC

InChI

InChI=1S/C21H24N2O5S/c1-3-28-20-13-18(23(25)26)17(12-19(20)27-2)21(24)22-14-8-10-16(11-9-14)29-15-6-4-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,22,24)