2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(2,1,3-benzothiadiazol-4-yl)ethanamide

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(2,1,3-benzothiadiazol-4-yl)ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-piazthiol-4-yl-acetamide Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H25N5O4S2/c1-30-19-10-9-15(32(28,29)26-11-4-2-3-5-12-26)13-18(19)22-14-20(27)23-16-7-6-8-17-21(16)25-31-24-17/h6-10,13,22H,2-5,11-12,14H2,1H3,(H,23,27)