ethyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxo-propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)anilino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-3-keto-propionic acid ethyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCOC(=O)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H24N2O5S/c1-2-24-17(21)13-16(20)18-14-7-9-15(10-8-14)25(22,23)19-11-5-3-4-6-12-19/h7-10H,2-6,11-13H2,1H3,(H,18,20)