N-tert-butyl-4-[[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[2-(2-furyl)-2-(1-piperidyl)ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[2-(2-furanyl)-2-(1-piperidinyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[2-(2-furyl)-2-piperidino-ethyl]amino]-3-nitro-benzenesulfonamide Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CO2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CO2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O5S/c1-21(2,3)23-31(28,29)16-9-10-17(18(14-16)25(26)27)22-15-19(20-8-7-13-30-20)24-11-5-4-6-12-24/h7-10,13-14,19,22-23H,4-6,11-12,15H2,1-3H3