3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NN=C(S3)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NN=C(S3)C4CC4

InChI

InChI=1S/C20H26N4O3S2/c25-18(21-20-23-22-19(28-20)16-8-9-16)12-7-15-5-10-17(11-6-15)29(26,27)24-13-3-1-2-4-14-24/h5-6,10-11,16H,1-4,7-9,12-14H2,(H,21,23,25)