4-ethylsulfanyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-nitro-benzamide

Systemtic Name: 4-ethylsulfanyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-nitro-benzamide Openeye Name: 4-ethylsulfanyl-N-[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]-3-nitro-benzamide CAS Name: 4-(ethylthio)-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-ethylsulfanyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzamide Traditional Name: 4-(ethylthio)-N-[4-(2-methylpiperidino)sulfonylphenyl]-3-nitro-benzamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C)[N+](=O)[O-]

Isomeric SMILES

CCSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S2/c1-3-30-20-12-7-16(14-19(20)24(26)27)21(25)22-17-8-10-18(11-9-17)31(28,29)23-13-5-4-6-15(23)2/h7-12,14-15H,3-6,13H2,1-2H3,(H,22,25)