propan-2-yl 3-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]propanoate Openeye Name: isopropyl 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]propanoate CAS Name: 3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]propanoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]propionic acid isopropyl ester Formula: C19H27ClN2O5S MolecularWeight: 430.94608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)OC(=O)CCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H27ClN2O5S/c1-14(2)27-18(23)9-10-21-19(24)15-7-8-16(20)17(13-15)28(25,26)22-11-5-3-4-6-12-22/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,21,24)