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

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H27N5O4S/c1-15-13-16(2)23(21-15)12-6-9-20-18-8-7-17(14-19(18)24(25)26)29(27,28)22-10-4-3-5-11-22/h7-8,13-14,20H,3-6,9-12H2,1-2H3