3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyano-2-thienyl)propionamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H23N3O3S2/c21-15-17-11-14-27-20(17)22-19(24)10-7-16-5-8-18(9-6-16)28(25,26)23-12-3-1-2-4-13-23/h5-6,8-9,11,14H,1-4,7,10,12-13H2,(H,22,24)