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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4-iodophenyl)thiazol-2-yl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-(4-iodophenyl)-2-thiazolyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4-iodophenyl)thiazol-2-yl]benzamide Formula: C22H22IN3O3S2 MolecularWeight: 567.46285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22IN3O3S2/c23-18-9-5-16(6-10-18)20-15-30-22(24-20)25-21(27)17-7-11-19(12-8-17)31(28,29)26-13-3-1-2-4-14-26/h5-12,15H,1-4,13-14H2,(H,24,25,27)