4-(azepan-1-ylsulfonyl)-N-benzo[e][1,3]benzothiazol-2-yl-benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-benzo[e][1,3]benzothiazol-2-yl-benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-benzo[e][1,3]benzothiazol-2-yl-benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-benzo[e][1,3]benzothiazolyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-benzo[e][1,3]benzothiazol-2-ylbenzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-benzo[e][1,3]benzothiazol-2-yl-benzamide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C24H23N3O3S2/c28-23(26-24-25-22-20-8-4-3-7-17(20)11-14-21(22)31-24)18-9-12-19(13-10-18)32(29,30)27-15-5-1-2-6-16-27/h3-4,7-14H,1-2,5-6,15-16H2,(H,25,26,28)