methyl 2-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C21H23N3O6S/c1-30-21(27)18(12-15-6-3-2-4-7-15)23-20(26)16-8-5-9-17(13-16)31(28,29)24-11-10-22-19(25)14-24/h2-9,13,18H,10-12,14H2,1H3,(H,22,25)(H,23,26)