2-[4-methyl-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanyl-1,3-thiazol-5-yl]ethanamide

Systemtic Name: 2-[4-methyl-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanyl-1,3-thiazol-5-yl]ethanamide Openeye Name: 2-[4-methyl-2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]sulfanyl-thiazol-5-yl]acetamide CAS Name: 2-[4-methyl-2-[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]thio]-5-thiazolyl]acetamide IUPAC Name: 2-[4-methyl-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]sulfanyl-1,3-thiazol-5-yl]acetamide Traditional Name: 2-[4-methyl-2-[[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]thio]thiazol-5-yl]acetamide Formula: C18H22N4O5S3 MolecularWeight: 470.58608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC(=C(S3)CC(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC(=C(S3)CC(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S3/c1-11-4-3-7-21(10-11)30(26,27)13-5-6-15(14(8-13)22(24)25)28-18-20-12(2)16(29-18)9-17(19)23/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H2,19,23)/t11-/m0/s1