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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)propionamide Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC=NN3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC=NN3

InChI

InChI=1S/C17H23N5O3S/c23-16(20-17-18-13-19-21-17)10-7-14-5-8-15(9-6-14)26(24,25)22-11-3-1-2-4-12-22/h5-6,8-9,13H,1-4,7,10-12H2,(H2,18,19,20,21,23)