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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzothiazol-2-yl)-N-ethyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzothiazol-2-yl)-N-ethyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(1,3-benzothiazol-2-yl)-N-ethylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzothiazol-2-yl)-N-ethylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzothiazol-2-yl)-N-ethyl-propionamide Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N3O3S2/c1-2-27(24-25-21-9-5-6-10-22(21)31-24)23(28)16-13-19-11-14-20(15-12-19)32(29,30)26-17-7-3-4-8-18-26/h5-6,9-12,14-15H,2-4,7-8,13,16-18H2,1H3