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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4,5-dimethylthiazol-2-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(4,5-dimethyl-2-thiazolyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4,5-dimethylthiazol-2-yl)propionamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H27N3O3S2/c1-15-16(2)27-20(21-15)22-19(24)12-9-17-7-10-18(11-8-17)28(25,26)23-13-5-3-4-6-14-23/h7-8,10-11H,3-6,9,12-14H2,1-2H3,(H,21,22,24)