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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(2,1,3-benzothiadiazol-4-yl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-piazthiol-4-yl-acetamide Formula: C20H23N5O3S2 MolecularWeight: 445.55832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H23N5O3S2/c26-19(22-17-6-5-7-18-20(17)24-29-23-18)14-21-15-8-10-16(11-9-15)30(27,28)25-12-3-1-2-4-13-25/h5-11,21H,1-4,12-14H2,(H,22,26)