3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(pyrazin-2-ylamino)ethyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(pyrazin-2-ylamino)ethyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(pyrazin-2-ylamino)ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(2-pyrazinylamino)ethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(pyrazin-2-ylamino)ethyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(pyrazin-2-ylamino)ethyl]propionamide Formula: C21H29N5O3S MolecularWeight: 431.55166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCNC3=NC=CN=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCNC3=NC=CN=C3

InChI

InChI=1S/C21H29N5O3S/c27-21(25-14-13-24-20-17-22-11-12-23-20)10-7-18-5-8-19(9-6-18)30(28,29)26-15-3-1-2-4-16-26/h5-6,8-9,11-12,17H,1-4,7,10,13-16H2,(H,23,24)(H,25,27)