N,N-diethyl-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-5-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-5-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-5-nitro-benzenesulfonamide CAS Name: N,N-diethyl-2-[2-(2-methyl-1-benzimidazolyl)ethylamino]-5-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-5-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-5-nitro-benzenesulfonamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCN2C(=NC3=CC=CC=C32)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCN2C(=NC3=CC=CC=C32)C

InChI

InChI=1S/C20H25N5O4S/c1-4-23(5-2)30(28,29)20-14-16(25(26)27)10-11-18(20)21-12-13-24-15(3)22-17-8-6-7-9-19(17)24/h6-11,14,21H,4-5,12-13H2,1-3H3