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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3C(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3C(=CC(=N3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O4S/c1-15-6-4-10-23(14-15)30(28,29)18-7-8-19(20(13-18)25(26)27)21-9-5-11-24-17(3)12-16(2)22-24/h7-8,12-13,15,21H,4-6,9-11,14H2,1-3H3/t15-/m0/s1