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

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: diethyl-[2-[(4-morpholinosulfonyl-2-nitro-anilino)methyl]benzyl]amine Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5S/c1-3-24(4-2)17-19-8-6-5-7-18(19)16-23-21-10-9-20(15-22(21)26(27)28)32(29,30)25-11-13-31-14-12-25/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3