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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide Formula: C20H22N4O5S3 MolecularWeight: 494.60748

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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=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H22N4O5S3/c21-31(26,27)16-9-10-17-18(13-16)30-20(22-17)23-19(25)14-5-7-15(8-6-14)32(28,29)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12H2,(H2,21,26,27)(H,22,23,25)