(2S)-2-[[azanyl-[[2-(phenylsulfonylamino)phenyl]amino]methylidene]amino]-3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]propanoic acid

Systemtic Name: (2S)-2-[[azanyl-[[2-(phenylsulfonylamino)phenyl]amino]methylidene]amino]-3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]propanoic acid Openeye Name: (2S)-2-[[amino-[2-(benzenesulfonamido)anilino]methylene]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid CAS Name: (2S)-2-[[amino-[2-(benzenesulfonamido)anilino]methylidene]amino]-3-[4-[[(2,6-dichlorophenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-[[amino-[2-(benzenesulfonamido)anilino]methylidene]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid Traditional Name: (2S)-2-[[amino-[2-(benzenesulfonamido)anilino]methylene]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propionic acid Formula: C29H25Cl2N5O5S MolecularWeight: 626.5103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2NC(=NC(CC3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4Cl)Cl)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2NC(=N[C@@H](CC3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4Cl)Cl)C(=O)O)N

InChI

InChI=1S/C29H25Cl2N5O5S/c30-21-9-6-10-22(31)26(21)27(37)33-19-15-13-18(14-16-19)17-25(28(38)39)35-29(32)34-23-11-4-5-12-24(23)36-42(40,41)20-7-2-1-3-8-20/h1-16,25,36H,17H2,(H,33,37)(H,38,39)(H3,32,34,35)/t25-/m0/s1