3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4,5-dihydrothiazol-2-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(4,5-dihydrothiazol-2-yl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-thiazolin-2-yl)propionamide Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NCCS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NCCS3

InChI

InChI=1S/C18H25N3O3S2/c22-17(20-18-19-11-14-25-18)10-7-15-5-8-16(9-6-15)26(23,24)21-12-3-1-2-4-13-21/h5-6,8-9H,1-4,7,10-14H2,(H,19,20,22)