N,N-diethyl-3-nitro-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]-3-nitro-benzenesulfonamide Formula: C20H31N5O5S MolecularWeight: 453.55564

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H31N5O5S/c1-3-24(4-2)31(29,30)17-7-8-18(19(15-17)25(27)28)22-13-11-21(12-14-22)16-20(26)23-9-5-6-10-23/h7-8,15H,3-6,9-14,16H2,1-2H3