3-(azepan-1-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O3S2/c1-15-22-19-10-9-17(14-20(19)28-15)23-21(25)16-7-6-8-18(13-16)29(26,27)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,25)