5-azanyl-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl-methylsulfonyl-amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl-methylsulfonyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl-methylsulfonyl-amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[4-[bis(2-chloroethyl)amino]phenoxy]-oxomethyl]-methylsulfonylamino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl-methylsulfonylamino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl-mesyl-amino]-5-keto-valeric acid Formula: C17H23Cl2N3O7S MolecularWeight: 484.35142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C(CCC(=O)N)C(=O)O)C(=O)OC1=CC=C(C=C1)N(CCCl)CCCl

Isomeric SMILES

CS(=O)(=O)N(C(CCC(=O)N)C(=O)O)C(=O)OC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C17H23Cl2N3O7S/c1-30(27,28)22(14(16(24)25)6-7-15(20)23)17(26)29-13-4-2-12(3-5-13)21(10-8-18)11-9-19/h2-5,14H,6-11H2,1H3,(H2,20,23)(H,24,25)