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

Systemtic Name: 5-(azepan-1-yl)-2,4-bis-(4-methylphenyl)sulfonyl-1,3-thiazole Openeye Name: 5-(azepan-1-yl)-2,4-bis(p-tolylsulfonyl)thiazole CAS Name: 5-(1-azepanyl)-2,4-bis-(4-methylphenyl)sulfonylthiazole IUPAC Name: 5-(azepan-1-yl)-2,4-bis-(4-methylphenyl)sulfonyl-1,3-thiazole Traditional Name: 5-(azepan-1-yl)-2,4-ditosyl-thiazole Formula: C23H26N2O4S3 MolecularWeight: 490.65854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C3=CC=C(C=C3)C)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C3=CC=C(C=C3)C)N4CCCCCC4

InChI

InChI=1S/C23H26N2O4S3/c1-17-7-11-19(12-8-17)31(26,27)21-22(25-15-5-3-4-6-16-25)30-23(24-21)32(28,29)20-13-9-18(2)10-14-20/h7-14H,3-6,15-16H2,1-2H3