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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H29N5O3S2 MolecularWeight: 463.61666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4CCCC4

InChI

InChI=1S/C21H29N5O3S2/c27-19(15-30-21-23-20(24-25-21)16-7-3-4-8-16)22-17-9-11-18(12-10-17)31(28,29)26-13-5-1-2-6-14-26/h9-12,16H,1-8,13-15H2,(H,22,27)(H,23,24,25)