N-tert-butyl-4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(1-methylsulfonyl-4-piperidyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[(1-methylsulfonyl-4-piperidinyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(1-mesyl-4-piperidyl)amino]-3-nitro-benzenesulfonamide Formula: C16H26N4O6S2 MolecularWeight: 434.53084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H26N4O6S2/c1-16(2,3)18-28(25,26)13-5-6-14(15(11-13)20(21)22)17-12-7-9-19(10-8-12)27(4,23)24/h5-6,11-12,17-18H,7-10H2,1-4H3