1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 2-[(4-nitrophenyl)thio]-1-(4-p-phenetylsulfonylpiperazino)propan-1-one Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S2/c1-3-30-18-6-10-20(11-7-18)32(28,29)23-14-12-22(13-15-23)21(25)16(2)31-19-8-4-17(5-9-19)24(26)27/h4-11,16H,3,12-15H2,1-2H3