methyl (2S)-2-[[4-bromanyl-2-(1H-indol-2-ylsulfonylamino)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-bromanyl-2-(1H-indol-2-ylsulfonylamino)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-bromo-2-(1H-indol-2-ylsulfonylamino)benzoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-bromo-2-(1H-indol-2-ylsulfonylamino)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-bromo-2-(1H-indol-2-ylsulfonylamino)benzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-bromo-2-(1H-indol-2-ylsulfonylamino)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H22BrN3O5S MolecularWeight: 556.42828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C25H22BrN3O5S/c1-34-25(31)22(13-16-7-3-2-4-8-16)28-24(30)19-12-11-18(26)15-21(19)29-35(32,33)23-14-17-9-5-6-10-20(17)27-23/h2-12,14-15,22,27,29H,13H2,1H3,(H,28,30)/t22-/m0/s1