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

Systemtic Name: N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-methyl-N-[(5-methylisoxazol-3-yl)methyl]-4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-methyl-N-[(5-methyl-3-isoxazolyl)methyl]-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: methyl-[(5-methylisoxazol-3-yl)methyl]-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S/c1-13-5-4-8-21(11-13)28(25,26)16-6-7-17(18(10-16)22(23)24)20(3)12-15-9-14(2)27-19-15/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3