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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-(3-pyridyl)thiazol-2-yl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-(3-pyridinyl)-2-thiazolyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[4-(3-pyridyl)thiazol-2-yl]benzamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S2/c26-20(24-21-23-19(15-29-21)17-6-5-11-22-14-17)16-7-9-18(10-8-16)30(27,28)25-12-3-1-2-4-13-25/h5-11,14-15H,1-4,12-13H2,(H,23,24,26)