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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-thiazol-2-yl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-thiazolyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-thiazol-2-yl-propionamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC=CS3

InChI

InChI=1S/C18H23N3O3S2/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/h5-6,8-9,11,14H,1-4,7,10,12-13H2,(H,19,20,22)