N-(2-dimethylaminoethyl)-4-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[[(1-methyl-2-imidazolyl)-phenylmethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O4S/c1-25(2)13-12-23-32(30,31)17-9-10-18(19(15-17)27(28)29)24-20(16-7-5-4-6-8-16)21-22-11-14-26(21)3/h4-11,14-15,20,23-24H,12-13H2,1-3H3