N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-(3-methoxyphenyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(3-methoxyphenyl)piperazino]-3-nitro-benzenesulfonamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5S/c1-4-24(5-2)31(28,29)19-9-10-20(21(16-19)25(26)27)23-13-11-22(12-14-23)17-7-6-8-18(15-17)30-3/h6-10,15-16H,4-5,11-14H2,1-3H3