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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C)CN3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C)CN3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O4S/c1-15-6-10-23(11-7-15)29(27,28)17-4-5-18(19(12-17)24(25)26)20-13-16(2)14-22-9-3-8-21-22/h3-5,8-9,12,15-16,20H,6-7,10-11,13-14H2,1-2H3