N-tert-butyl-4-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=C(C=C2)OC)N(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5S/c1-21(2,3)23-31(28,29)17-11-12-18(19(13-17)25(26)27)22-14-20(24(4)5)15-7-9-16(30-6)10-8-15/h7-13,20,22-23H,14H2,1-6H3/t20-/m0/s1