[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)sulfonylamino]ethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-[(3-bromophenyl)sulfonylamino]acetate CAS Name: 2-[(3-bromophenyl)sulfonylamino]acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-[(3-bromophenyl)sulfonylamino]acetate Traditional Name: 2-[(3-bromophenyl)sulfonylamino]acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H17BrN4O5S MolecularWeight: 457.29898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)S(=O)(=O)NCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)S(=O)(=O)NCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H17BrN4O5S/c17-13-4-1-5-14(10-13)27(24,25)20-11-16(23)26-12-15(22)21(8-2-6-18)9-3-7-19/h1,4-5,10,20H,2-3,8-9,11-12H2