4-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole

Systemtic Name: 4-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenyl-thiazole CAS Name: 4-[3-(1-azepanylsulfonyl)phenyl]-2-phenylthiazole IUPAC Name: 4-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenyl-thiazole Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S2/c24-27(25,23-13-6-1-2-7-14-23)19-12-8-11-18(15-19)20-16-26-21(22-20)17-9-4-3-5-10-17/h3-5,8-12,15-16H,1-2,6-7,13-14H2