methyl 1-[3-[(2-bromophenyl)carbamoylamino]-6-chloranyl-2-oxidanyl-phenyl]sulfonylazetidine-2-carboxylate

Systemtic Name: methyl 1-[3-[(2-bromophenyl)carbamoylamino]-6-chloranyl-2-oxidanyl-phenyl]sulfonylazetidine-2-carboxylate Openeye Name: methyl 1-[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxy-phenyl]sulfonylazetidine-2-carboxylate CAS Name: 1-[3-[[(2-bromoanilino)-oxomethyl]amino]-6-chloro-2-hydroxyphenyl]sulfonyl-2-azetidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxyphenyl]sulfonylazetidine-2-carboxylate Traditional Name: 1-[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxy-phenyl]sulfonylazetidine-2-carboxylic acid methyl ester Formula: C18H17BrClN3O6S MolecularWeight: 518.76608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN1S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=CC=CC=C3Br)Cl

Isomeric SMILES

COC(=O)C1CCN1S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=CC=CC=C3Br)Cl

InChI

InChI=1S/C18H17BrClN3O6S/c1-29-17(25)14-8-9-23(14)30(27,28)16-11(20)6-7-13(15(16)24)22-18(26)21-12-5-3-2-4-10(12)19/h2-7,14,24H,8-9H2,1H3,(H2,21,22,26)