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

Systemtic Name: 5-(azepan-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole Openeye Name: 5-(azepan-1-yl)-2-propylsulfonyl-4-(p-tolylsulfonyl)thiazole CAS Name: 5-(1-azepanyl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonylthiazole IUPAC Name: 5-(azepan-1-yl)-4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazole Traditional Name: 5-(azepan-1-yl)-2-propylsulfonyl-4-tosyl-thiazole Formula: C19H26N2O4S3 MolecularWeight: 442.61574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4S3/c1-3-14-27(22,23)19-20-17(18(26-19)21-12-6-4-5-7-13-21)28(24,25)16-10-8-15(2)9-11-16/h8-11H,3-7,12-14H2,1-2H3