methyl (2S)-2-[[azanyl-[[4-(phenylsulfonyl)phenyl]amino]methylidene]amino]-3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]propanoate

Systemtic Name: methyl (2S)-2-[[azanyl-[[4-(phenylsulfonyl)phenyl]amino]methylidene]amino]-3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]propanoate Openeye Name: methyl (2S)-2-[[amino-[4-(benzenesulfonyl)anilino]methylene]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate CAS Name: (2S)-2-[[amino-[4-(benzenesulfonyl)anilino]methylidene]amino]-3-[4-[[(2,6-dichlorophenyl)-oxomethyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[amino-[4-(benzenesulfonyl)anilino]methylidene]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate Traditional Name: (2S)-2-[[amino-(4-besylanilino)methylene]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propionic acid methyl ester Formula: C30H26Cl2N4O5S MolecularWeight: 625.52224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)Cl)N=C(N)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)Cl)N=C(N)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H26Cl2N4O5S/c1-41-29(38)26(18-19-10-12-20(13-11-19)34-28(37)27-24(31)8-5-9-25(27)32)36-30(33)35-21-14-16-23(17-15-21)42(39,40)22-6-3-2-4-7-22/h2-17,26H,18H2,1H3,(H,34,37)(H3,33,35,36)/t26-/m0/s1