methyl (2S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H29ClN2O5S MolecularWeight: 444.97266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H29ClN2O5S/c1-14(2)12-17(20(25)28-3)22-19(24)15-8-9-16(21)18(13-15)29(26,27)23-10-6-4-5-7-11-23/h8-9,13-14,17H,4-7,10-12H2,1-3H3,(H,22,24)/t17-/m0/s1