4-(3-methylpiperidin-1-yl)sulfonyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-nitro-aniline

Systemtic Name: 4-(3-methylpiperidin-1-yl)sulfonyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-nitro-aniline Openeye Name: 4-[(3-methyl-1-piperidyl)sulfonyl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-nitro-aniline CAS Name: 4-[(3-methyl-1-piperidinyl)sulfonyl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-nitroaniline IUPAC Name: 4-(3-methylpiperidin-1-yl)sulfonyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-nitroaniline Traditional Name: [4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]-[3-(5-methyl-1H-pyrazol-4-yl)propyl]amine Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(NN=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(NN=C3)C)[N+](=O)[O-]

InChI

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