N-tert-butyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[4-(2-methoxyethyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[4-(2-methoxyethyl)piperazino]-3-nitro-benzenesulfonamide Formula: C17H28N4O5S MolecularWeight: 400.49302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CCOC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CCOC)[N+](=O)[O-]

InChI

InChI=1S/C17H28N4O5S/c1-17(2,3)18-27(24,25)14-5-6-15(16(13-14)21(22)23)20-9-7-19(8-10-20)11-12-26-4/h5-6,13,18H,7-12H2,1-4H3