(4-butoxyphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-2-3-16-30-18-10-8-17(9-11-18)21(25)22-12-14-23(15-13-22)31(28,29)20-7-5-4-6-19(20)24(26)27/h4-11H,2-3,12-16H2,1H3