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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methylthiazol-2-yl)-N-phenyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(4-methyl-2-thiazolyl)-N-phenylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methylthiazol-2-yl)-N-phenyl-propionamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O3S2/c1-20-19-32-25(26-20)28(22-9-5-4-6-10-22)24(29)16-13-21-11-14-23(15-12-21)33(30,31)27-17-7-2-3-8-18-27/h4-6,9-12,14-15,19H,2-3,7-8,13,16-18H2,1H3