N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C21H29N5O4S2/c1-15-23-24-21(26(15)16-7-8-16)31-14-20(27)22-18-13-17(9-10-19(18)30-2)32(28,29)25-11-5-3-4-6-12-25/h9-10,13,16H,3-8,11-12,14H2,1-2H3,(H,22,27)