2-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-N-benzyl-acetamide CAS Name: 2-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-N-benzylacetamide Traditional Name: 2-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-N-benzyl-acetamide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3S2/c28-23(25-17-19-8-4-3-5-9-19)16-24-26-22(18-31-24)20-10-12-21(13-11-20)32(29,30)27-14-6-1-2-7-15-27/h3-5,8-13,18H,1-2,6-7,14-17H2,(H,25,28)