4-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(5-chloro-2-thienyl)methyl-methyl-amino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl-methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl-methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl-methyl-amino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C16H20ClN3O4S2 MolecularWeight: 417.9307

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(S2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H20ClN3O4S2/c1-4-19(5-2)26(23,24)13-7-8-14(15(10-13)20(21)22)18(3)11-12-6-9-16(17)25-12/h6-10H,4-5,11H2,1-3H3