N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(3-chlorophenyl)methyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(3-chlorophenyl)methyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: (3-chlorobenzyl)-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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