N-(azepan-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxidanylidene-1,3-dihydropyrazin-3-yl]ethanamide

Systemtic Name: N-(azepan-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxidanylidene-1,3-dihydropyrazin-3-yl]ethanamide Openeye Name: N-(azepan-4-yl)-2-[(3R)-2-oxo-4-(p-tolylsulfonyl)-1,3-dihydropyrazin-3-yl]acetamide CAS Name: N-(4-azepanyl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide IUPAC Name: N-(azepan-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide Traditional Name: N-(azepan-4-yl)-2-[(3R)-2-keto-4-tosyl-1,3-dihydropyrazin-3-yl]acetamide Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CNC(=O)C2CC(=O)NC3CCCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)NC3CCCNCC3

InChI

InChI=1S/C19H26N4O4S/c1-14-4-6-16(7-5-14)28(26,27)23-12-11-21-19(25)17(23)13-18(24)22-15-3-2-9-20-10-8-15/h4-7,11-12,15,17,20H,2-3,8-10,13H2,1H3,(H,21,25)(H,22,24)/t15?,17-/m1/s1