5-(azepan-1-yl)-2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazole

Systemtic Name: 5-(azepan-1-yl)-2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazole Openeye Name: 5-(azepan-1-yl)-2-ethylsulfonyl-4-(p-tolylsulfonyl)thiazole CAS Name: 5-(1-azepanyl)-2-ethylsulfonyl-4-(4-methylphenyl)sulfonylthiazole IUPAC Name: 5-(azepan-1-yl)-2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazole Traditional Name: 5-(azepan-1-yl)-2-esyl-4-tosyl-thiazole Formula: C18H24N2O4S3 MolecularWeight: 428.58916

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC(=C(S1)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC(=C(S1)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H24N2O4S3/c1-3-26(21,22)18-19-16(17(25-18)20-12-6-4-5-7-13-20)27(23,24)15-10-8-14(2)9-11-15/h8-11H,3-7,12-13H2,1-2H3