(2-azanyl-2-oxidanylidene-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C15H19ClN2O5S MolecularWeight: 374.83976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O5S/c16-12-6-5-11(15(20)23-10-14(17)19)9-13(12)24(21,22)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H2,17,19)