4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-aniline

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-aniline Openeye Name: 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]-N-[2-(2-methylthiazol-4-yl)ethyl]-2-nitro-aniline CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-N-[2-(2-methyl-4-thiazolyl)ethyl]-2-nitroaniline IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitroaniline Traditional Name: [4-(3,5-dimethylpiperidino)sulfonyl-2-nitro-phenyl]-[2-(2-methylthiazol-4-yl)ethyl]amine Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CSC(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CSC(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H26N4O4S2/c1-13-8-14(2)11-22(10-13)29(26,27)17-4-5-18(19(9-17)23(24)25)20-7-6-16-12-28-15(3)21-16/h4-5,9,12-14,20H,6-8,10-11H2,1-3H3