N-[(4-ethylphenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(4-ethylphenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(4-ethylphenyl)methyl]-N-methyl-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(4-ethylphenyl)methyl]-N-methyl-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(4-ethylphenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: (4-ethylbenzyl)-methyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

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