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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(3-pyridyl)thiazol-2-yl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[4-(3-pyridinyl)-2-thiazolyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(3-pyridyl)thiazol-2-yl]benzamide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S2/c22-17-8-7-15(12-19(17)31(28,29)26-10-3-1-2-4-11-26)20(27)25-21-24-18(14-30-21)16-6-5-9-23-13-16/h5-9,12-14H,1-4,10-11H2,(H,24,25,27)