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

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C20H29N5O4S MolecularWeight: 435.54036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3C(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3C(=CC(=N3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O4S/c1-15-7-11-23(12-8-15)30(28,29)18-5-6-19(20(14-18)25(26)27)21-9-4-10-24-17(3)13-16(2)22-24/h5-6,13-15,21H,4,7-12H2,1-3H3