(2-azanyl-2-oxidanylidene-ethyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-amino-2-keto-ethyl) ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N

InChI

InChI=1S/C15H20N2O5S/c16-14(18)11-22-15(19)12-5-7-13(8-6-12)23(20,21)17-9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H2,16,18)