3-(azepan-1-ylsulfonyl)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[4-(2-chlorophenyl)thiazol-2-yl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-(2-chlorophenyl)-2-thiazolyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-(2-chlorophenyl)thiazol-2-yl]benzamide Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H22ClN3O3S2/c23-19-11-4-3-10-18(19)20-15-30-22(24-20)25-21(27)16-8-7-9-17(14-16)31(28,29)26-12-5-1-2-6-13-26/h3-4,7-11,14-15H,1-2,5-6,12-13H2,(H,24,25,27)