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

Systemtic Name: N-tert-butyl-4-[[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[(R)-(1-methyl-2-imidazolyl)-phenylmethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[(R)-(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC(C2=CC=CC=C2)C3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N[C@H](C2=CC=CC=C2)C3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4S/c1-21(2,3)24-31(29,30)16-10-11-17(18(14-16)26(27)28)23-19(15-8-6-5-7-9-15)20-22-12-13-25(20)4/h5-14,19,23-24H,1-4H3/t19-/m1/s1