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

Systemtic Name: methyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-2-methyl-propanoate CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-2-methylpropanoate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-2-methyl-propionic acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-18(2,17(22)25-3)19-16(21)14-8-10-15(11-9-14)26(23,24)20-12-6-4-5-7-13-20/h8-11H,4-7,12-13H2,1-3H3,(H,19,21)