N-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitro-aniline

Systemtic Name: N-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitro-aniline Openeye Name: N-methyl-4-[(3-methyl-1-piperidyl)sulfonyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-nitro-aniline CAS Name: N-methyl-4-[(3-methyl-1-piperidinyl)sulfonyl]-N-[(1-methyl-4-pyrazolyl)methyl]-2-nitroaniline IUPAC Name: N-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitroaniline Traditional Name: methyl-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]-[(1-methylpyrazol-4-yl)methyl]amine Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CN(N=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CN(N=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4S/c1-14-5-4-8-22(11-14)28(26,27)16-6-7-17(18(9-16)23(24)25)20(2)12-15-10-19-21(3)13-15/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3