(2S)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-phenoxy-propanamide

Systemtic Name: (2S)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-phenoxy-propanamide Openeye Name: (2S)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-phenoxy-propanamide CAS Name: (2S)-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-phenoxypropanamide IUPAC Name: (2S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-phenoxypropanamide Traditional Name: (2S)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-phenoxy-propionamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-17-12-13-19(23-22(25)18(2)28-20-10-6-5-7-11-20)16-21(17)29(26,27)24-14-8-3-4-9-15-24/h5-7,10-13,16,18H,3-4,8-9,14-15H2,1-2H3,(H,23,25)/t18-/m0/s1