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

Systemtic Name: 5-(azepan-1-yl)-4-(4-methylphenyl)sulfonyl-2-(phenylmethyl)sulfonyl-1,3-thiazole Openeye Name: 5-(azepan-1-yl)-2-benzylsulfonyl-4-(p-tolylsulfonyl)thiazole CAS Name: 5-(1-azepanyl)-4-(4-methylphenyl)sulfonyl-2-(phenylmethyl)sulfonylthiazole IUPAC Name: 5-(azepan-1-yl)-2-benzylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazole Traditional Name: 5-(azepan-1-yl)-2-benzylsulfonyl-4-tosyl-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)CC3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)CC3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C23H26N2O4S3/c1-18-11-13-20(14-12-18)32(28,29)21-22(25-15-7-2-3-8-16-25)30-23(24-21)31(26,27)17-19-9-5-4-6-10-19/h4-6,9-14H,2-3,7-8,15-17H2,1H3