methyl 2-[[(2-chloranylethanoylamino)-phenyl-methyl]-(4-methoxyphenyl)sulfonyl-amino]prop-2-enoate

Systemtic Name: methyl 2-[[(2-chloranylethanoylamino)-phenyl-methyl]-(4-methoxyphenyl)sulfonyl-amino]prop-2-enoate Openeye Name: methyl 2-[[[(2-chloroacetyl)amino]-phenyl-methyl]-(4-methoxyphenyl)sulfonyl-amino]prop-2-enoate CAS Name: 2-[[[(2-chloro-1-oxoethyl)amino]-phenylmethyl]-(4-methoxyphenyl)sulfonylamino]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[[[(2-chloroacetyl)amino]-phenylmethyl]-(4-methoxyphenyl)sulfonylamino]prop-2-enoate Traditional Name: 2-[[[(2-chloroacetyl)amino]-phenyl-methyl]-(4-methoxyphenyl)sulfonyl-amino]acrylic acid methyl ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(C(C2=CC=CC=C2)NC(=O)CCl)C(=C)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(C(C2=CC=CC=C2)NC(=O)CCl)C(=C)C(=O)OC

InChI

InChI=1S/C20H21ClN2O6S/c1-14(20(25)29-3)23(30(26,27)17-11-9-16(28-2)10-12-17)19(22-18(24)13-21)15-7-5-4-6-8-15/h4-12,19H,1,13H2,2-3H3,(H,22,24)