N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C18H25N5O5S MolecularWeight: 423.4866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C18H25N5O5S/c1-14-12-15(2)22(20-14)7-3-6-19-17-5-4-16(23(24)25)13-18(17)29(26,27)21-8-10-28-11-9-21/h4-5,12-13,19H,3,6-11H2,1-2H3