(3-chloranyl-5-methoxy-4-propoxy-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-5-methoxy-4-propoxy-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-chloro-5-methoxy-4-propoxy-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-chloro-5-methoxy-4-propoxyphenyl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-chloro-5-methoxy-4-propoxyphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-chloro-5-methoxy-4-propoxy-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H24ClN3O7S MolecularWeight: 497.94916

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C21H24ClN3O7S/c1-3-12-32-20-16(22)13-15(14-18(20)31-2)21(26)23-8-10-24(11-9-23)33(29,30)19-7-5-4-6-17(19)25(27)28/h4-7,13-14H,3,8-12H2,1-2H3