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

Systemtic Name: N-(2,4-dimethylphenyl)-4-[[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[[(R)-(1-methyl-2-imidazolyl)-phenylmethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[[(R)-(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC(C3=CC=CC=C3)C4=NC=CN4C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N[C@H](C3=CC=CC=C3)C4=NC=CN4C)[N+](=O)[O-])C

InChI

InChI=1S/C25H25N5O4S/c1-17-9-11-21(18(2)15-17)28-35(33,34)20-10-12-22(23(16-20)30(31)32)27-24(19-7-5-4-6-8-19)25-26-13-14-29(25)3/h4-16,24,27-28H,1-3H3/t24-/m1/s1