3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-24(16-21-23-19-11-4-5-12-20(19)29-21)22(26)17-9-8-10-18(15-17)30(27,28)25-13-6-2-3-7-14-25/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3