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

Systemtic Name: N-tert-butyl-4-[[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[(S)-(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzenesulfonamide Formula: C22H27N5O5S MolecularWeight: 473.54528

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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)OC)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)OC)C3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O5S/c1-22(2,3)25-33(30,31)17-9-10-18(19(14-17)27(28)29)24-20(21-23-11-12-26(21)4)15-7-6-8-16(13-15)32-5/h6-14,20,24-25H,1-5H3/t20-/m0/s1