3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[4-(2-thienyl)thiazol-2-yl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-(4-thiophen-2-yl-2-thiazolyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[4-(2-thienyl)thiazol-2-yl]benzamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=CS3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=CS3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O4S3/c1-28-17-9-8-15(13-19(17)31(26,27)24-10-4-2-3-5-11-24)20(25)23-21-22-16(14-30-21)18-7-6-12-29-18/h6-9,12-14H,2-5,10-11H2,1H3,(H,22,23,25)