N,N-diethyl-4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitro-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O6S2/c1-4-18(5-2)28(25,26)14-6-7-15(16(12-14)20(21)22)17-13-8-10-19(11-9-13)27(3,23)24/h6-7,12-13,17H,4-5,8-11H2,1-3H3