4-[4-(4-butoxy-3-methoxy-phenyl)carbonylpiperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(4-butoxy-3-methoxy-phenyl)carbonylpiperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(4-butoxy-3-methoxy-benzoyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(4-butoxy-3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(4-butoxy-3-methoxybenzoyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(4-butoxy-3-methoxy-benzoyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C26H36N4O7S MolecularWeight: 548.65164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O7S/c1-5-8-17-37-24-12-9-20(18-25(24)36-4)26(31)28-15-13-27(14-16-28)22-11-10-21(19-23(22)30(32)33)38(34,35)29(6-2)7-3/h9-12,18-19H,5-8,13-17H2,1-4H3