ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-methyl-imidazole-4-carboxylate

Systemtic Name: ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-methyl-imidazole-4-carboxylate Openeye Name: ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-methyl-imidazole-4-carboxylate CAS Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-methyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-methylimidazole-4-carboxylate Traditional Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-methyl-imidazole-4-carboxylic acid ethyl ester Formula: C17H22Cl2N4O4S MolecularWeight: 449.35198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN1C)NS(=O)(=O)C2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

CCOC(=O)C1=C(N=CN1C)NS(=O)(=O)C2=CC=C(C=C2)N(CCCl)CCCl

InChI

InChI=1S/C17H22Cl2N4O4S/c1-3-27-17(24)15-16(20-12-22(15)2)21-28(25,26)14-6-4-13(5-7-14)23(10-8-18)11-9-19/h4-7,12,21H,3,8-11H2,1-2H3