N-[(1S)-1-(4-methylphenyl)propyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[(1S)-1-(4-methylphenyl)propyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: 2-morpholinosulfonyl-4-nitro-N-[(1S)-1-(p-tolyl)propyl]aniline CAS Name: N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(1S)-1-(4-methylphenyl)propyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: (2-morpholinosulfonyl-4-nitro-phenyl)-[(1S)-1-(p-tolyl)propyl]amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)C)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H25N3O5S/c1-3-18(16-6-4-15(2)5-7-16)21-19-9-8-17(23(24)25)14-20(19)29(26,27)22-10-12-28-13-11-22/h4-9,14,18,21H,3,10-13H2,1-2H3/t18-/m0/s1