1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-4-phenoxy-butan-1-one

Systemtic Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-4-phenoxy-butan-1-one Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-4-phenoxy-butan-1-one CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-4-phenoxy-1-butanone IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-4-phenoxybutan-1-one Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-4-phenoxy-butan-1-one Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7S/c1-30-20-10-9-18(16-19(20)24(26)27)32(28,29)23-13-11-22(12-14-23)21(25)8-5-15-31-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3