N,N-diethyl-3-nitro-4-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazino]benzenesulfonamide Formula: C19H29N5O5S MolecularWeight: 439.52906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O5S/c1-3-23(4-2)30(28,29)16-7-8-17(18(15-16)24(26)27)20-11-13-22(14-12-20)19(25)21-9-5-6-10-21/h7-8,15H,3-6,9-14H2,1-2H3