1-[4-[(2-ethoxyphenyl)methylsulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine

Systemtic Name: 1-[4-[(2-ethoxyphenyl)methylsulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine Openeye Name: 1-[4-[(2-ethoxyphenyl)methylsulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine CAS Name: 1-[4-[(2-ethoxyphenyl)methylthio]-3-nitrophenyl]sulfonyl-4-methylpiperidine IUPAC Name: 1-[4-[(2-ethoxyphenyl)methylsulfanyl]-3-nitrophenyl]sulfonyl-4-methylpiperidine Traditional Name: 1-[4-[(2-ethoxybenzyl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5S2/c1-3-28-20-7-5-4-6-17(20)15-29-21-9-8-18(14-19(21)23(24)25)30(26,27)22-12-10-16(2)11-13-22/h4-9,14,16H,3,10-13,15H2,1-2H3