ethyl 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]-5-[(phenylmethyl)sulfonylamino]benzoate

Systemtic Name: ethyl 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]-5-[(phenylmethyl)sulfonylamino]benzoate Openeye Name: ethyl 5-(benzylsulfonylamino)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-5-[(phenylmethyl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 5-(benzylsulfonylamino)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Traditional Name: 5-(benzylsulfonylamino)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid ethyl ester Formula: C30H28N2O5S MolecularWeight: 528.61872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NS(=O)(=O)CC2=CC=CC=C2)NC(=O)C=C(C)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NS(=O)(=O)CC2=CC=CC=C2)NC(=O)/C=C(\C)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H28N2O5S/c1-3-37-30(34)27-19-26(32-38(35,36)20-22-9-5-4-6-10-22)15-16-28(27)31-29(33)17-21(2)24-14-13-23-11-7-8-12-25(23)18-24/h4-19,32H,3,20H2,1-2H3,(H,31,33)/b21-17+