N-[3-(4-dimethylaminophenyl)propyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[3-(4-dimethylaminophenyl)propyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[3-(4-dimethylaminophenyl)propyl]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[3-(4-dimethylaminophenyl)propyl]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[3-(4-dimethylaminophenyl)propyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: dimethyl-[4-[3-(2-morpholinosulfonyl-4-nitro-anilino)propyl]phenyl]amine Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H28N4O5S/c1-23(2)18-7-5-17(6-8-18)4-3-11-22-20-10-9-19(25(26)27)16-21(20)31(28,29)24-12-14-30-15-13-24/h5-10,16,22H,3-4,11-15H2,1-2H3