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

Systemtic Name: N-[(2-methylphenyl)methyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: 2-morpholinosulfonyl-4-nitro-N-(o-tolylmethyl)aniline CAS Name: N-[(2-methylphenyl)methyl]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(2-methylphenyl)methyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: (2-methylbenzyl)-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H21N3O5S/c1-14-4-2-3-5-15(14)13-19-17-7-6-16(21(22)23)12-18(17)27(24,25)20-8-10-26-11-9-20/h2-7,12,19H,8-11,13H2,1H3