propan-2-yl 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]propanoate Openeye Name: isopropyl 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]propanoate CAS Name: 3-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]propanoate Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]propionic acid isopropyl ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6S/c1-15(2)28-19(23)10-11-21-20(24)17-14-16(8-9-18(17)27-3)29(25,26)22-12-6-4-5-7-13-22/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,21,24)