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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N3O3S2/c1-26(18-23-25-21-8-4-5-9-22(21)31-23)24(28)15-12-19-10-13-20(14-11-19)32(29,30)27-16-6-2-3-7-17-27/h4-5,8-11,13-14H,2-3,6-7,12,15-18H2,1H3