N-tert-butyl-4-[1-(4-methoxyphenyl)propylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[1-(4-methoxyphenyl)propylamino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[1-(4-methoxyphenyl)propylamino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[1-(4-methoxyphenyl)propylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[1-(4-methoxyphenyl)propylamino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[1-(4-methoxyphenyl)propylamino]-3-nitro-benzenesulfonamide Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-6-17(14-7-9-15(28-5)10-8-14)21-18-12-11-16(13-19(18)23(24)25)29(26,27)22-20(2,3)4/h7-13,17,21-22H,6H2,1-5H3