4-(azepan-1-ylsulfonyl)-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: N-(3-allyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: N-(3-allyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide Formula: C23H26N4O5S3 MolecularWeight: 534.67134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O5S3/c1-2-13-27-20-12-11-19(34(24,29)30)16-21(20)33-23(27)25-22(28)17-7-9-18(10-8-17)35(31,32)26-14-5-3-4-6-15-26/h2,7-12,16H,1,3-6,13-15H2,(H2,24,29,30)