N-tert-butyl-4-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](C)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5S/c1-13-7-10-19(28-6)16(11-13)14(2)21-17-9-8-15(12-18(17)23(24)25)29(26,27)22-20(3,4)5/h7-12,14,21-22H,1-6H3/t14-/m0/s1