4-(azepan-1-ylsulfonyl)-N-[4,6-bis(chloranyl)-1,3-benzothiazol-2-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4,6-bis(chloranyl)-1,3-benzothiazol-2-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-dichloro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4,6-dichloro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-dichloro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-dichloro-1,3-benzothiazol-2-yl)benzamide Formula: C20H19Cl2N3O3S2 MolecularWeight: 484.41916

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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(C=C(C=C4S3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4S3)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O3S2/c21-14-11-16(22)18-17(12-14)29-20(23-18)24-19(26)13-5-7-15(8-6-13)30(27,28)25-9-3-1-2-4-10-25/h5-8,11-12H,1-4,9-10H2,(H,23,24,26)