methyl (2S)-2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H24N2O6S/c1-25-17(22)15(12-20)18-16(21)13-6-8-14(9-7-13)26(23,24)19-10-4-2-3-5-11-19/h6-9,15,20H,2-5,10-12H2,1H3,(H,18,21)/t15-/m0/s1