4-morpholin-4-ylsulfonyl-2-nitro-N-(2-phenylbutyl)aniline

Systemtic Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-(2-phenylbutyl)aniline Openeye Name: 4-morpholinosulfonyl-2-nitro-N-(2-phenylbutyl)aniline CAS Name: 4-(4-morpholinylsulfonyl)-2-nitro-N-(2-phenylbutyl)aniline IUPAC Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-(2-phenylbutyl)aniline Traditional Name: (4-morpholinosulfonyl-2-nitro-phenyl)-(2-phenylbutyl)amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O5S/c1-2-16(17-6-4-3-5-7-17)15-21-19-9-8-18(14-20(19)23(24)25)29(26,27)22-10-12-28-13-11-22/h3-9,14,16,21H,2,10-13,15H2,1H3