N-(2-dimethylaminoethyl)-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[4-(morpholine-4-carbonyl)piperazino]-3-nitro-benzenesulfonamide Formula: C19H30N6O6S MolecularWeight: 470.5431

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N6O6S/c1-21(2)6-5-20-32(29,30)16-3-4-17(18(15-16)25(27)28)22-7-9-23(10-8-22)19(26)24-11-13-31-14-12-24/h3-4,15,20H,5-14H2,1-2H3