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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[(4-chlorophenyl)methyl]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[(4-chlorophenyl)methyl]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: (4-chlorobenzyl)-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C17H18ClN3O5S MolecularWeight: 411.85992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN3O5S/c18-14-3-1-13(2-4-14)12-19-16-6-5-15(21(22)23)11-17(16)27(24,25)20-7-9-26-10-8-20/h1-6,11,19H,7-10,12H2