3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-cyclopropylthiazol-2-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(4-cyclopropyl-2-thiazolyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-cyclopropylthiazol-2-yl)propionamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC(=CS3)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC(=CS3)C4CC4

InChI

InChI=1S/C21H27N3O3S2/c25-20(23-21-22-19(15-28-21)17-8-9-17)12-7-16-5-10-18(11-6-16)29(26,27)24-13-3-1-2-4-14-24/h5-6,10-11,15,17H,1-4,7-9,12-14H2,(H,22,23,25)